UCSF

ZINC00403051

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 9 Yes

Popular Name: 1-Methylhistamine 1-Methylhistamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 501-75-7 , 6481-98-7 , N/A

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) -0.78 2.55 -42.26 3 3 1 45 126.183 2 ↓
Mid Mid (pH 6-8) -0.78 3.01 -94.91 4 3 2 47 127.191 2 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links HNMTA_XENLA; HNMTB_XENLA; HNMT_BOVIN; HNMT_CAVPO; HNMT_DANRE; HNMT_HUMAN; HNMT_MOUSE; HNMT_PONAB; HNMT_RAT; HNMT_TETNG; HNMT_XENTR ChEBI
UniProt Database Links HNMTA_XENLA; HNMTB_XENLA; HNMT_BOVIN; HNMT_CAVPO; HNMT_DANRE; HNMT_HUMAN; HNMT_MOUSE; HNMT_PONAB; HNMT_RAT; HNMT_TETNG; HNMT_XENTR; HRH3_HUMAN; HRH4_HUMAN ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50512-3-O Cavia Porcellus (cluster #3 Of 7), Other Other 3300 0.85 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50512 Z50512 Cavia Porcellus 3300 0.85 Functional ≤ 10μM

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