UCSF

ZINC33829404

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 28 Yes

Popular Name: BRN 1659997; Benzeneacetic acid, alpha-phenyl-, 1-((dimethylamino)methyl)-2-(1-piperidinyl)ethyl ester; LS-28989; alpha-Phenylbenzeneacetic acid 1-((dimethylamino)methyl)-2-(1-piperidinyl)ethyl ester BRN 1659997; Benzeneacetic acid,…

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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) 4.32 13.27 -33.16 1 4 1 34 381.54 9 ↓
Lo Low (pH 4.5-6) 4.32 15.36 -104.71 2 4 2 35 382.548 9 ↓
Lo Low (pH 4.5-6) 4.32 13.23 -37.61 1 4 1 34 381.54 9 ↓

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

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