UCSF

ZINC33808429

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 38 No

Popular Name: (4Z,5R)-5-(4-butoxy-3-ethoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(3-morpholinopropyl)pyrrolidi (4Z,5R)-5-(4-butoxy-3-ethoxy-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) 2.70 9.47 -54.41 0 9 -1 104 522.622 13 ↓
Mid Mid (pH 6-8) 2.70 11.8 -77.27 1 9 0 105 523.63 13 ↓
Lo Low (pH 4.5-6) 2.70 10.5 -64.72 2 9 1 103 524.638 13 ↓

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