UCSF

ZINC04217815

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 16 Yes

Popular Name: 2-(4-Methylpiperazin-1-yl)nicotinic acid 2-(4-Methylpiperazin-1-yl)nicoti…

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CAS Numbers: 38029-97-9 , [38029-97-9]

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) 0.56 5.8 -89.32 2 5 1 62 222.268 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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