UCSF

ZINC16699710

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 35 No

Popular Name: (5S)-5-(4-allyloxy-3-methoxy-phenyl)-4-(4-chlorobenzoyl)-3-hydroxy-1-(4-pyridylmethyl)-5H-pyrrol-2-o (5S)-5-(4-allyloxy-3-methoxy-phe…

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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) 3.46 10.92 -56.64 0 7 -1 92 489.935 9 ↓
Mid Mid (pH 6-8) 3.90 9.06 -28.13 1 7 0 89 490.943 8 ↓
Mid Mid (pH 6-8) 2.87 10.02 -25.29 0 7 0 86 490.943 9 ↓
Lo Low (pH 4.5-6) 3.90 9.35 -55.61 2 7 1 90 491.951 8 ↓
Lo Low (pH 4.5-6) 2.87 10.31 -55.63 1 7 1 87 491.951 9 ↓

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