UCSF

ZINC20229566

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 No

Popular Name: (5R)-4-(4-allyloxybenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(3-nitrophenyl)-5H-pyrrol-2-one (5R)-4-(4-allyloxybenzoyl)-1-(2-…

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) 3.04 10.93 -71.29 1 9 0 120 451.479 10 ↓
Hi High (pH 8-9.5) 3.04 8.4 -52.58 0 9 -1 119 450.471 10 ↓
Lo Low (pH 4.5-6) 3.04 10.11 -58.33 2 9 1 117 452.487 10 ↓

Activity (Go SEA)

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