UCSF

ZINC33445835

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 31 No

Popular Name: (4E,5R)-5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylene]-1-(4-pyridylmethyl)pyrrolidine-2,3 (4E,5R)-5-(2-fluorophenyl)-4-[hy…

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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) 2.64 9.52 -46.18 0 6 -1 83 417.416 6 ↓
Lo Low (pH 4.5-6) 2.64 8.39 -19.56 1 6 0 80 418.424 6 ↓
Lo Low (pH 4.5-6) 2.64 8.83 -49.84 2 6 1 81 419.432 6 ↓

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

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