UCSF

ZINC16731804

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (5R)-4-(4-allyloxybenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one (5R)-4-(4-allyloxybenzoyl)-5-(3,…

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) 2.71 7.57 -58.94 0 8 -1 97 452.483 11 ↓
Mid Mid (pH 6-8) 3.16 6.17 -31.97 1 8 0 95 453.491 10 ↓
Mid Mid (pH 6-8) 2.13 7.15 -26.81 0 8 0 91 453.491 11 ↓

Activity (Go SEA)

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