UCSF

ZINC13276861

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 33 No

Popular Name: 4-chloro-3-[(5S)-4-(cyclopropanecarbonyl)-3-hydroxy-2-oxo-5-(5-phenyl-2-thienyl)-5H-pyrrol-1-yl]benz 4-chloro-3-[(5S)-4-(cyclopropane…

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) 5.30 14.28 -119.93 0 6 -2 101 477.925 6 ↓
Mid Mid (pH 6-8) 4.72 13.3 -64.93 0 6 -1 95 478.933 6 ↓
Mid Mid (pH 6-8) 5.30 12.07 -72.26 1 6 -1 98 478.933 5 ↓

Activity (Go SEA)

Rings

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

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