UCSF

ZINC09240663

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 34 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-(p-tolyl)pyrrolidine-2, 4-[(4-butoxy-3-methyl-phenyl)-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) 5.00 13.43 -74 1 6 0 74 464.606 11 ↓
Mid Mid (pH 6-8) 5.44 2.79 -47.81 2 6 1 71 465.614 10 ↓
Mid Mid (pH 6-8) 4.42 2.17 -45.15 1 6 1 68 465.614 11 ↓

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