UCSF

ZINC39744132

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 32 Yes

Popular Name: 2-[[4-allyl-5-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-ethyl-1,3, 2-[[4-allyl-5-[2-(3-methylsulfan…

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) 2.33 9.82 -31.57 2 9 0 115 489.652 11 ↓
Hi High (pH 8-9.5) 2.51 8.61 -66.52 1 9 -1 121 488.644 11 ↓

Activity (Go SEA)

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