UCSF

ZINC20264409

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 36 No

Popular Name: (5S)-5-(4-ethoxy-3-methoxy-phenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-pyrrol-2- (5S)-5-(4-ethoxy-3-methoxy-pheny…

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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) 2.71 7.96 -57.13 0 8 -1 91 497.543 10 ↓
Mid Mid (pH 6-8) 2.71 10.29 -77.68 1 8 0 93 498.551 10 ↓
Lo Low (pH 4.5-6) 2.71 9.47 -60.11 2 8 1 90 499.559 10 ↓

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