UCSF

ZINC69878551

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 Yes

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

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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) 2.33 11.45 -60.55 1 7 1 60 339.423 6 ↓
Mid Mid (pH 6-8) 2.33 9.24 -14.7 0 7 0 59 338.415 6 ↓

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Rings

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

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