UCSF

ZINC09008347

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 31 No

Popular Name: 4-[(4-butoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-(2-thienyl)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) 4.18 10.92 -70.03 1 6 0 74 442.581 10 ↓
Hi High (pH 8-9.5) 4.18 8.38 -58.23 0 6 -1 73 441.573 10 ↓
Mid Mid (pH 6-8) 3.59 0.17 -44.86 1 6 1 68 443.589 10 ↓

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