UCSF

ZINC08740968

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 36 No

Popular Name: 4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(3-pyridylmethyl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2 4-[hydroxy-(4-methoxyphenyl)-met…

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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) 2.23 7.5 -61.81 0 9 -1 110 489.504 9 ↓
Mid Mid (pH 6-8) 2.67 6.49 -14.39 1 9 0 107 490.512 8 ↓
Lo Low (pH 4.5-6) 2.67 6.77 -41.54 2 9 1 109 491.52 8 ↓

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