UCSF

ZINC16713772

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 39 No

Popular Name: (5S)-3-hydroxy-4-(4-isobutoxy-2-methyl-benzoyl)-1-(3-methoxypropyl)-5-(3-phenoxyphenyl)-5H-pyrrol-2- (5S)-3-hydroxy-4-(4-isobutoxy-2-…

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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) 5.92 14.22 -58.14 0 7 -1 88 528.625 12 ↓
Mid Mid (pH 6-8) 6.36 12.48 -26.06 1 7 0 85 529.633 11 ↓
Mid Mid (pH 6-8) 5.34 13.86 -19.24 0 7 0 82 529.633 12 ↓

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