UCSF

ZINC39742256

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 35 Yes

Popular Name: (2R)-2-[[4-allyl-5-[2-(4-ethoxyanilino)-2-oxo-ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-cyclopropyl-1 (2R)-2-[[4-allyl-5-[2-(4-ethoxya…

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) 2.51 10.52 -27.53 2 10 0 124 513.649 12 ↓
Hi High (pH 8-9.5) 2.69 8.97 -60.98 1 10 -1 130 512.641 12 ↓

Activity (Go SEA)

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