UCSF

ZINC16732867

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 37 No

Popular Name: (5S)-4-(4-butoxybenzoyl)-1-(3-diethylaminopropyl)-5-(4-ethoxyphenyl)-3-hydroxy-5H-pyrrol-2-one (5S)-4-(4-butoxybenzoyl)-1-(3-di…

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) 5.36 14.21 -75.57 1 7 0 83 508.659 15 ↓
Mid Mid (pH 6-8) 5.80 13.08 -59.32 2 7 1 81 509.667 14 ↓
Mid Mid (pH 6-8) 4.77 14.07 -62.72 1 7 1 77 509.667 15 ↓

Activity (Go SEA)

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