UCSF

ZINC00057287

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Diuron Diuron

Find On: PubMed — Wikipedia — Google

CAS Numbers: 330-54-1 , [330-54-1]

Download: MOL2 SDF SMILES Flexibase

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) 2.58 5.2 -10.62 1 3 0 32 233.098 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 157-160? Alfa-Aesar
Melting_Point 157-160° Alfa-Aesar
MP 159 TCI
Boiling_Point 180-190? dec. Alfa-Aesar
Boiling_Point 180-190° dec. Alfa-Aesar
UniProt Database Links DSPA_SYNY3; MPI1_ARATH; MPI2_ARATH; PSBA1_ACAM1; PSBA1_ANAVT; PSBA1_GLOVI; PSBA1_NOSS1; PSBA1_SYNE7; PSBA1_SYNEL; PSBA1_SYNJA; PSBA1_SYNJB; PSBA1_SYNP2; PSBA1_SYNP6; PSBA1_SYNPW; PSBA1_SYNPX; PSBA1_SYNR3; PSBA1_SYNS3; PSBA1_SYNS9; PSBA1_SYNSC; PSBA1_SYNY3 ChEBI
Therapy herbicide SMDC ChBr Diverse

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101722-1-O Chlorella Vulgaris (cluster #1 Of 2), Other Other 7300 0.51 Functional ≤ 10μM
Z50391-1-O Spinacia Oleracea (cluster #1 Of 1), Other Other 1900 0.57 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z101722 Z101722 Chlorella Vulgaris 7300 0.51 Functional ≤ 10μM
Z50391 Z50391 Spinacia Oleracea 1900 0.57 Functional ≤ 10μM

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