UCSF

ZINC16247070

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 32 No

Popular Name: (5S)-1-(3-dimethylaminopropyl)-4-(2,5-dimethylbenzoyl)-5-(4-ethoxyphenyl)-3-hydroxy-5H-pyrrol-2-one (5S)-1-(3-dimethylaminopropyl)-4…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 3.94 12.49 -75.05 1 6 0 74 436.552 9 ↓
Mid Mid (pH 6-8) 4.38 11.05 -56.11 2 6 1 71 437.56 8 ↓
Mid Mid (pH 6-8) 3.35 12.42 -54.9 1 6 1 68 437.56 9 ↓

Activity (Go SEA)

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