UCSF

ZINC40053933

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 33 No

Popular Name: (2S)-2-(3,4-diethoxyphenyl)-4-hydroxy-1-(3-hydroxypropyl)-3-(3-methoxybenzoyl)-2H-pyrrol-5-one (2S)-2-(3,4-diethoxyphenyl)-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) 2.45 6.16 -64 1 8 -1 108 454.499 11 ↓
Lo Low (pH 4.5-6) 2.45 5.41 -19.21 2 8 0 106 455.507 11 ↓

Activity (Go SEA)

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