UCSF

ZINC00330735

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 22 Yes

Popular Name: [(4-phenyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid [(4-phenyl-5-pyridin-3-yl-4H-1,2…

Find On: PubMed — Wikipedia — Google

CAS Number: 333418-51-2

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) 1.94 0.61 -52.11 0 6 -1 83 311.346 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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