UCSF

ZINC12001042

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 23 Yes

Popular Name: (2R)-2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dimethylphenyl)butanamide (2R)-2-(3-amino-5-ethylsulfanyl-…

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) 3.05 -0.01 -16.74 3 6 0 86 333.461 6 ↓

Activity (Go SEA)

Rings

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