UCSF

ZINC39761980

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 35 Yes

Popular Name: N-[[4-allyl-5-[(1R)-2-(2-hydroxyanilino)-1-methyl-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3, N-[[4-allyl-5-[(1R)-2-(2-hydroxy…

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) 2.27 6.63 -17.56 3 10 0 128 497.577 11 ↓

Activity (Go SEA)

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