UCSF

ZINC69897332

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 21 Yes

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

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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) 2.16 10.76 -55.19 1 6 1 51 287.391 3 ↓
Hi High (pH 8-9.5) 2.16 8.65 -11.3 0 6 0 50 286.383 3 ↓

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Rings

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

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