UCSF

ZINC19433606

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 No

Popular Name: 2-(4-methylpiperazin-1-yl)pyridine-4-carbothioamide 2-(4-methylpiperazin-1-yl)pyridi…

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Download: MOL2 SDF SMILES Flexibase

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) 0.78 4.3 -46.27 3 4 1 47 237.352 2 ↓
Mid Mid (pH 6-8) 0.78 4.61 -109.61 4 4 2 48 238.36 2 ↓
Mid Mid (pH 6-8) 0.78 1.84 -15.77 2 4 0 45 236.344 2 ↓

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