UCSF

ZINC61448750

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 17 Yes

Popular Name: 5-(6-methyl-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)pentanoic 5-(6-methyl-[1,2,4]triazolo[3,4-…

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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) 0.67 7.39 -55.14 0 6 -1 83 233.251 5 ↓
Lo Low (pH 4.5-6) 0.67 5.41 -16.49 1 6 0 80 234.259 5 ↓

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Rings

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

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