UCSF

ZINC09272183

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 39 No

Popular Name: 4-(4-butoxy-2-methyl-benzoyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-1-(3-pyridylmethyl)-5H-pyrrol- 4-(4-butoxy-2-methyl-benzoyl)-5-…

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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) 4.43 11.83 -41.85 0 8 -1 101 529.613 12 ↓
Mid Mid (pH 6-8) 4.88 12.13 -16.69 1 8 0 98 530.621 11 ↓
Lo Low (pH 4.5-6) 4.88 12.41 -51.88 2 8 1 99 531.629 11 ↓

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