UCSF

ZINC65553624

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 23 Yes

Popular Name: 6-(4-benzylpiperazin-1-yl)-3-methyl-[1,2,4]triazolo[3,4-f]pyridazine 6-(4-benzylpiperazin-1-yl)-3-met…

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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) 1.86 8.63 -12.55 0 6 0 50 308.389 3 ↓
Mid Mid (pH 6-8) 1.86 10.85 -57.62 1 6 1 51 309.397 3 ↓

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

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