UCSF

ZINC09068302

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 33 No

Popular Name: 3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxybenzoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-5-(4-hydroxy-3-methoxy…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD03011285

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) 1.94 5.46 -62.66 1 8 -1 112 445.451 7 ↓
Mid Mid (pH 6-8) 2.38 5.36 -13.47 2 8 0 109 446.459 6 ↓
Lo Low (pH 4.5-6) 2.38 5.64 -48.08 3 8 1 110 447.467 6 ↓

Activity (Go SEA)

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