UCSF

ZINC20230321

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 No

Popular Name: (5S)-4-(4-allyloxybenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(5-methyl-2-furyl)-5H-pyrrol-2-one (5S)-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) 2.59 9.26 -71.63 1 7 0 87 410.47 9 ↓
Hi High (pH 8-9.5) 2.59 6.71 -59.7 0 7 -1 86 409.462 9 ↓
Lo Low (pH 4.5-6) 2.59 8.44 -50.97 2 7 1 84 411.478 9 ↓

Activity (Go SEA)

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