UCSF

ZINC21487128

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 24 No

Popular Name: 1-(4-methylpiperazin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazol-3-yl]methanimine 1-(4-methylpiperazin-1-yl)-N-[1-…

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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) 2.72 9.14 -35.09 1 5 1 36 340.373 4 ↓
Mid Mid (pH 6-8) 2.72 11.5 -102.9 2 5 2 37 341.381 4 ↓
Mid Mid (pH 6-8) 2.72 12.17 -97.91 2 5 2 37 341.381 4 ↓

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