UCSF

ZINC40054306

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 31 No

Popular Name: (2S)-2-(2,6-dichlorophenyl)-4-hydroxy-1-(3-hydroxypropyl)-3-(3-propoxybenzoyl)-2H-pyrrol-5-one (2S)-2-(2,6-dichlorophenyl)-4-hy…

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) 4.19 7.87 -62.03 1 6 -1 90 463.337 9 ↓
Lo Low (pH 4.5-6) 4.19 7.13 -14.75 2 6 0 87 464.345 9 ↓

Activity (Go SEA)

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