UCSF

ZINC33823922

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 27 Yes

Popular Name: 4-Piperidinol, 1-(3-(diethylamino)propyl)-2,5-dimethyl-4-phenyl-, propionate (ester), ditartrate, dihydrate; LS-116979; Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester 4-Piperidinol, 1-(3-(diethylamin…

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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) 4.69 12.21 -38.89 1 4 1 34 375.577 10 ↓
Mid Mid (pH 6-8) 4.69 14.36 -111.07 2 4 2 35 376.585 10 ↓
Mid Mid (pH 6-8) 4.69 12.22 -40.86 1 4 1 34 375.577 10 ↓

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

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