UCSF

ZINC13275946

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 27 No

Popular Name: 3-[(2R)-3-(cyclopropanecarbonyl)-4-hydroxy-2-(5-methyl-2-thienyl)-5-oxo-2H-pyrrol-1-yl]benzoic 3-[(2R)-3-(cyclopropanecarbonyl)…

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) 2.97 10.45 -130.95 0 6 -2 101 381.409 5 ↓
Mid Mid (pH 6-8) 2.39 9.47 -78.21 0 6 -1 95 382.417 5 ↓
Mid Mid (pH 6-8) 2.97 8.21 -85.8 1 6 -1 98 382.417 4 ↓

Activity (Go SEA)

Rings

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

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