UCSF

ZINC33755459

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 30 Yes

Popular Name: 4-Piperidinol, 1-(2-(diethylamino)ethyl)-2,5-dimethyl-, 3,4,5-trimethoxybenzoate, ditartrate, (D)-; D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate; LS-116969 4-Piperidinol, 1-(2-(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) 3.75 9.86 -41.59 1 7 1 62 423.574 11 ↓
Hi High (pH 8-9.5) 3.75 7.72 -7.51 0 7 0 60 422.566 11 ↓
Mid Mid (pH 6-8) 3.75 12.03 -120.45 2 7 2 63 424.582 11 ↓
Mid Mid (pH 6-8) 3.75 9.92 -42.17 1 7 1 62 423.574 11 ↓

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