UCSF

ZINC20724032

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 29 Yes

Popular Name: (3R)-3-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2- (3R)-3-[[4-allyl-5-(4-methoxyphe…

Find On: PubMed — Wikipedia — Google

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) 4.68 8.97 -13.22 1 6 0 73 406.511 6 ↓
Ref Reference (pH 7) 4.50 11.16 -16.62 1 6 0 69 406.511 6 ↓

Activity (Go SEA)

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