UCSF

ZINC00703357

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Substance Information

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

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

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Other Names:

MFCD04088679

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) 4.33 13.15 -50.91 0 6 -1 83 493.514 8 ↓
Mid Mid (pH 6-8) 3.75 0.07 -19.45 0 6 0 76 494.522 8 ↓
Mid Mid (pH 6-8) 4.78 -0.16 -26.76 1 6 0 79 494.522 7 ↓
Lo Low (pH 4.5-6) 4.78 -0.03 -57.23 2 6 1 80 495.53 7 ↓
Lo Low (pH 4.5-6) 3.75 0.2 -54.11 1 6 1 77 495.53 8 ↓

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