UCSF

ZINC16731030

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 38 No

Popular Name: (5S)-1-(3-diethylaminopropyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5-(4-pentoxyphenyl)-5H-pyrrol-2-one (5S)-1-(3-diethylaminopropyl)-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) 5.86 14.68 -77.17 1 7 0 83 522.686 16 ↓
Mid Mid (pH 6-8) 6.31 13.57 -59.9 2 7 1 81 523.694 15 ↓
Mid Mid (pH 6-8) 5.28 14.54 -63.63 1 7 1 77 523.694 16 ↓

Activity (Go SEA)

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