UCSF

ZINC33444945

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 34 No

Popular Name: (4E,5R)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(3-methoxyphenyl)methylene]-1-(4-pyridylmethyl)pyrrolidin (4E,5R)-5-(3,4-dimethoxyphenyl)-…

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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) 2.17 8.72 -44.55 0 8 -1 101 459.478 8 ↓
Lo Low (pH 4.5-6) 2.17 7.6 -24.73 1 8 0 98 460.486 8 ↓
Lo Low (pH 4.5-6) 2.17 8.03 -56.12 2 8 1 99 461.494 8 ↓

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

No pre-computed analogs available. Try a structural similarity search.