UCSF

ZINC25539894

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 31 Yes

Popular Name: N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]-1-(tetrazolo[5,1-f]pyridazin-6-yl)piperidine-4-carboxamide N-[6-(4-methylpiperazin-1-yl)-3-…

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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) 1.18 5.73 -59.42 2 11 1 109 423.505 4 ↓
Mid Mid (pH 6-8) 1.18 6.03 -122.59 3 11 2 110 424.513 4 ↓
Mid Mid (pH 6-8) 1.18 3.27 -25.66 1 11 0 108 422.497 4 ↓
Mid Mid (pH 6-8) 1.18 3.56 -57.67 2 11 1 109 423.505 4 ↓

Activity (Go SEA)

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