UCSF

ZINC06194361

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 31 No

Popular Name: 3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1-(3-methoxypropyl)-5-(3-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-isopropoxy-3-meth…

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Other Names:

MFCD03724184

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) 2.57 7.57 -64.35 0 7 -1 92 423.489 9 ↓
Mid Mid (pH 6-8) 3.02 7.9 -20.69 1 7 0 89 424.497 8 ↓
Mid Mid (pH 6-8) 1.99 8.8 -21.55 0 7 0 86 424.497 9 ↓
Lo Low (pH 4.5-6) 3.02 8.19 -56.17 2 7 1 90 425.505 8 ↓
Lo Low (pH 4.5-6) 1.99 9.09 -59.13 1 7 1 87 425.505 9 ↓

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