UCSF

ZINC16730576

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 No

Popular Name: (5S)-4-(4-allyloxybenzoyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-5-(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) 4.77 11.14 -44.02 0 6 -1 79 448.539 10 ↓
Mid Mid (pH 6-8) 5.22 9.36 -24.52 1 6 0 76 449.547 9 ↓
Mid Mid (pH 6-8) 4.19 10.35 -19.18 0 6 0 73 449.547 10 ↓

Activity (Go SEA)

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