UCSF

ZINC00703369

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 37 No

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

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Other Names:

MFCD04148043

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) 4.62 13.28 -46.14 0 6 -1 83 489.551 8 ↓
Mid Mid (pH 6-8) 5.06 -0.57 -25.99 1 6 0 79 490.559 7 ↓
Mid Mid (pH 6-8) 4.03 -0.27 -21.39 0 6 0 76 490.559 8 ↓
Lo Low (pH 4.5-6) 5.06 -0.44 -55.53 2 6 1 80 491.567 7 ↓
Lo Low (pH 4.5-6) 4.03 -0.15 -53.94 1 6 1 77 491.567 8 ↓

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