UCSF

ZINC21997380

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 Yes

Popular Name: 3-Pyridinecarboxamide, N-methyl-6-(4-methyl-1-piperazinyl)-; BRN 0540548; LS-130661; LT 173; N-Methyl-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide; Nicotinamide, N-methyl-6-(4-methyl-1-piperazinyl)- 3-Pyridinecarboxamide, N-methyl-…

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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) 0.23 3.32 -46.45 2 5 1 50 235.311 2 ↓
Mid Mid (pH 6-8) 0.23 0.85 -10.31 1 5 0 48 234.303 2 ↓

Activity (Go SEA)

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