UCSF

ZINC33871160

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 36 Yes

Popular Name: N-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-5-methyl-N-(3-morpholinopropyl)pyrazine-2-carboxamide N-[3-(4-benzylpiperazin-1-yl)-3-…

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Download: MOL2 SDF SMILES Flexibase

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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) 1.19 7.32 -12.39 0 9 0 82 494.64 10 ↓
Mid Mid (pH 6-8) 1.19 9.58 -44.19 1 9 1 83 495.648 10 ↓
Lo Low (pH 4.5-6) 1.19 11.79 -98.39 2 9 2 85 496.656 10 ↓

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