UCSF

ZINC66640465

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-(2-hydroxyphenyl)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]acetamide 2-(2-hydroxyphenyl)-N-[(4-isopro…

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) 0.91 4.58 -15.84 3 6 0 83 306.391 5 ↓
Mid Mid (pH 6-8) 1.64 4.39 -45.7 2 6 -1 80 305.383 5 ↓

Activity (Go SEA)

Rings

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

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