UCSF

ZINC69876807

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 Yes

Popular Name: 6-[4-[(E)-cinnamyl]piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[(E)-cinnamyl]piperazin-1-y…

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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) 2.73 12.44 -59.49 1 6 1 51 321.408 4 ↓
Mid Mid (pH 6-8) 2.73 10.2 -12.53 0 6 0 50 320.4 4 ↓

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

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