UCSF

ZINC41664956

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 25 No

Popular Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-oxido-pyridin-1-ium-3-carboxamide N-[4-[(4-ethylpiperazin-1-yl)met…

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Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 0.41 7.12 -58.02 2 6 1 62 341.435 5 ↓
Mid Mid (pH 6-8) 0.41 7.1 -60.4 2 6 1 62 341.435 5 ↓
Mid Mid (pH 6-8) 0.41 4.84 -27.44 1 6 0 61 340.427 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.