UCSF

ZINC17044931

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 31 No

Popular Name: 4-(4-butoxy-3-methylbenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5-pyridin-4-yl-1,5-dihydro-2H-pyrrol-2-one 4-(4-butoxy-3-methylbenzoyl)-3-h…

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Other Names:

MFCD03110306

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) 2.94 7.94 -60.79 0 7 -1 92 423.489 10 ↓
Mid Mid (pH 6-8) 2.94 8.38 -11.94 1 7 0 89 424.497 10 ↓
Mid Mid (pH 6-8) 2.36 8.75 -10.59 0 7 0 86 424.497 10 ↓
Lo Low (pH 4.5-6) 2.94 8.66 -38.26 2 7 1 90 425.505 10 ↓
Lo Low (pH 4.5-6) 2.36 9.03 -43.8 1 7 1 87 425.505 10 ↓

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