UCSF

ZINC00043475

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: Carbendazim Carbendazim

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10605-21-7 , 162976-69-4 , [10605-21-7]

Other Names:

10605-21-7; C10897; Carbendazim; Mecarzole

1H-Benzimidazol-2-yl-carbamic acid, methyl ester;1H-Benzimidazol-2-ylcarbamic acid methyl ester;1H-Benzimidazol-2-ylcarbamic acid, methyl ester;1H-Benzimidazole-2-carbamic acid, methyl ester;2-(Carbomethoxyamino)benzimidazole;2-(Methoxy-carbonylamino)-ben

1H-Benzimidazol-2-ylcarbamic acid methyl ester; 1H-Benzimidazole-2-carbamic acid, methyl ester; 1H-benzimidazol-2-ylcarbamic acid, methyl ester; 2-(Carbomethoxyamino)benzimidazole; 2-(Methoxy-carbonylamino)-benzimidazol [German]; 2-(Methoxycarbamoyl)benzi

1H-benzimidazol-2-ylcarbamic acid methyl ester; 2-(Methoxy-carbonylamino)-benzimidazol; 2-(methoxycarbonylamino)-benzimidazole; 2-(methoxycarbonylamino)benzimidazole; 2-benzimidazolecarbamic acid methyl ester; BMC; Carbendazim; MBC; Mecarzole; carbendazim

2-Benzimidazolecarbamic acid, methyl ester, hydrochloride; C9H10N3O2.Cl; Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester, hydrochloride; Carbendazim hydrochloride; LS-32699; unspecified HCl

C9H9N3O2.H3O4P; Carbamic acid, (1H-benzimidazol-2-yl)-, methyl ester, phosphate (1:1); Carbendazim phosphate; Caswell No. 525BB; Correx; EPA Pesticide Chemical Code 099102; LS-48947; Lignasan BLP; Lignosan BLP; MBC-P; Methyl (2-benzimidazole)carbamate pho

Carbamic acid, (1,3-dihydro-2H-benzimidazol-2-ylidene)-, methyl ester (9CI)

Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester (9CI)

Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester

LS-191592

Methomyl Technical

Methyl 1H-benzo[d]imidazol-2-ylcarbamate

MFCD00055390

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 2.81 -9.9 2 5 0 70 191.19 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% APIChem
UniProt Database Links CRK_DROME ChEBI
Indications fungicide KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101892-1-O Magnaporthe Oryzae (cluster #1 Of 1), Other Other 5000 0.53 Functional ≤ 10μM
Z103181-1-O Microdochium Nivale (cluster #1 Of 1), Other Other 2600 0.56 Functional ≤ 10μM
Z50422-3-O Entamoeba Histolytica (cluster #3 Of 5), Other Other 204 0.67 Functional ≤ 10μM
Z50468-2-O Giardia Intestinalis (cluster #2 Of 4), Other Other 57 0.72 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50422 Z50422 Entamoeba Histolytica 204 0.67 Functional ≤ 10μM
Z50468 Z50468 Giardia Intestinalis 57 0.72 Functional ≤ 10μM
Z101892 Z101892 Magnaporthe Oryzae 5000 0.53 Functional ≤ 10μM
Z103181 Z103181 Microdochium Nivale 2600 0.56 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.