UCSF

ZINC33808430

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (4Z,5S)-5-(4-butoxy-3-ethoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(3-morpholinopropyl)pyrrolidi (4Z,5S)-5-(4-butoxy-3-ethoxy-phe…

Find On: PubMed — Wikipedia — Google

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 9.58 -54.16 0 9 -1 104 522.622 13 ↓
Mid Mid (pH 6-8) 2.70 11.9 -74.91 1 9 0 105 523.63 13 ↓
Lo Low (pH 4.5-6) 2.70 10.61 -63.43 2 9 1 103 524.638 13 ↓

Activity (Go SEA)

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