UCSF

ZINC13008294

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 28 Yes

Popular Name: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f]pyridazin N-[[6-(4-methylpiperazin-1-yl)-3…

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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) 1.74 6.04 -52.72 2 8 1 76 393.397 5 ↓
Hi High (pH 8-9.5) 1.74 5.76 -16.5 1 8 0 74 392.389 5 ↓
Mid Mid (pH 6-8) 1.74 8.23 -49.99 2 8 1 76 393.397 5 ↓
Mid Mid (pH 6-8) 1.74 9.87 -111.36 3 8 2 77 394.405 5 ↓

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Rings

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

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