UCSF

ZINC42031291

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 15 No

Popular Name: 3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thiophen-2-amine 3-(4-cyclopropyl-5-methyl-1,2,4-…

Find On: PubMed — Wikipedia — Google

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) 0.31 5.22 -15.97 1 4 0 55 220.301 2 ↓
Mid Mid (pH 6-8) 1.22 5.54 -11.32 2 4 0 57 220.301 2 ↓

Activity (Go SEA)

Rings

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

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