UCSF

ZINC09232469

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 33 No

Popular Name: 5-[3-(allyloxy)phenyl]-3-hydroxy-4-(4-methylbenzoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one 5-[3-(allyloxy)phenyl]-3-hydroxy…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD03499448

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) 3.67 10.44 -58.89 0 6 -1 83 439.491 8 ↓
Mid Mid (pH 6-8) 3.08 0.43 -13.8 0 6 0 76 440.499 8 ↓
Lo Low (pH 4.5-6) 4.11 0.89 -42.34 2 6 1 80 441.507 7 ↓
Lo Low (pH 4.5-6) 3.08 0.54 -43.04 1 6 1 77 441.507 8 ↓
Lo Low (pH 4.5-6) 3.67 9.61 -14.91 1 6 0 80 440.499 8 ↓

Activity (Go SEA)

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