UCSF

ZINC33698669

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 No

Popular Name: (4E,5R)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-methoxyphenyl)-1-(4-pyridylmethyl)pyrrolidin (4E,5R)-4-[(2,5-dimethylphenyl)-…

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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) 3.37 9.68 -40.46 0 6 -1 83 427.48 6 ↓
Lo Low (pH 4.5-6) 3.37 8.55 -17.57 1 6 0 80 428.488 6 ↓
Lo Low (pH 4.5-6) 3.37 8.99 -50.95 2 6 1 81 429.496 6 ↓

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