UCSF

ZINC20606220

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 35 No

Popular Name: (5S)-1-allyl-3-hydroxy-4-(4-methoxybenzoyl)-5-[4-methoxy-3-(morpholinomethyl)phenyl]-5H-pyrrol-2-one (5S)-1-allyl-3-hydroxy-4-(4-meth…

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 6.9 -58.83 0 8 -1 91 477.537 9 ↓
Lo Low (pH 4.5-6) 2.71 8.57 -50.21 2 8 1 90 479.553 9 ↓
Lo Low (pH 4.5-6) 2.71 9.38 -79.79 1 8 0 93 478.545 9 ↓
Lo Low (pH 4.5-6) 2.71 6.08 -15.91 1 8 0 89 478.545 9 ↓

Activity (Go SEA)

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