UCSF

ZINC66640396

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 21 No

Popular Name: 5-chloro-2-hydroxy-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]benzamide 5-chloro-2-hydroxy-N-[(4-isoprop…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.02 5.76 -13.37 3 6 0 83 326.809 4 ↓
Hi High (pH 8-9.5) 2.75 6.57 -90.58 1 6 -2 83 324.793 4 ↓
Mid Mid (pH 6-8) 2.75 5.56 -43.94 2 6 -1 80 325.801 4 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.