UCSF

ZINC33808575

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Substance Information

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

Popular Name: (4Z,5R)-5-(3-ethoxy-4-isopentyloxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(2-morpholinoethyl)pyrr (4Z,5R)-5-(3-ethoxy-4-isopentylo…

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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) 2.64 8.8 -53.82 0 9 -1 104 522.622 12 ↓
Mid Mid (pH 6-8) 2.64 11.12 -68.57 1 9 0 105 523.63 12 ↓
Lo Low (pH 4.5-6) 2.64 9.83 -60.13 2 9 1 103 524.638 12 ↓

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