UCSF

ZINC33756149

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 20 Yes

Popular Name: 3-Pyridinecarboxamide, N,N-diethyl-2-(4-methyl-1-piperazinyl)-; BRN 0618754; LS-130592; N,N-Diethyl-2-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide; Nicotinamide, N,N-diethyl-2-(4-methyl-1-piperazinyl)- 3-Pyridinecarboxamide, N,N-dieth…

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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) 0.70 8.14 -35.13 1 5 1 41 277.392 4 ↓
Mid Mid (pH 6-8) 0.70 5.78 -10.28 0 5 0 40 276.384 4 ↓

Activity (Go SEA)

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