UCSF

ZINC13278061

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 35 No

Popular Name: 2-[(2S)-2-(4-butoxyphenyl)-3-(cyclopropanecarbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-1,3-benzothiazol 2-[(2S)-2-(4-butoxyphenyl)-3-(cy…

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) 4.91 13.33 -101.27 0 8 -2 123 490.537 9 ↓
Mid Mid (pH 6-8) 4.32 12.38 -58.62 0 8 -1 117 491.545 9 ↓
Mid Mid (pH 6-8) 4.91 11.04 -63.37 1 8 -1 120 491.545 8 ↓

Activity (Go SEA)

Rings

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

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