UCSF

ZINC33774813

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 37 No

Popular Name: (4Z,5R)-5-(4-butoxy-3-methoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(3-morpholinopropyl)pyrrolid (4Z,5R)-5-(4-butoxy-3-methoxy-ph…

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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) 2.32 8.2 -54.12 0 9 -1 104 508.595 12 ↓
Mid Mid (pH 6-8) 2.32 10.53 -69.37 1 9 0 105 509.603 12 ↓
Lo Low (pH 4.5-6) 2.32 9.24 -56.83 2 9 1 103 510.611 12 ↓

Activity (Go SEA)

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