UCSF

ZINC39762859

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 25 No

Popular Name: (2S)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4,5-dihydrothiazol-2-yl)propanam (2S)-2-[[5-(4-chlorophenyl)-4-et…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.31 8.29 -15.68 1 6 0 72 395.941 5 ↓
Lo Low (pH 4.5-6) 3.31 9.42 -37.11 2 6 1 74 396.949 5 ↓

Activity (Go SEA)

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