UCSF

ZINC09068298

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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…

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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 5.53 -65.06 1 8 -1 112 445.451 7 ↓
Lo Low (pH 4.5-6) 1.94 4.71 -21.25 2 8 0 109 446.459 7 ↓

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