UCSF

ZINC33758262

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 33 No

Popular Name: (4E,5R)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(2-diethylaminoethyl)-5-(4-pyridyl)pyrrolidine-2,3- (4E,5R)-4-[(3-butoxyphenyl)-hydr…

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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) 3.34 11.69 -49.36 1 7 0 87 451.567 12 ↓
Hi High (pH 8-9.5) 3.34 9.48 -39.51 0 7 -1 86 450.559 12 ↓
Lo Low (pH 4.5-6) 3.34 10.55 -53.32 2 7 1 84 452.575 12 ↓

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