UCSF

ZINC67542094

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 22 Yes

Popular Name: [1-[1-(9H-purin-6-yl)-4-piperidyl]triazol-4-yl]methanamine [1-[1-(9H-purin-6-yl)-4-piperidy…

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Download: MOL2 SDF SMILES Flexibase

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Vendors

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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) 0.21 4.86 -53.08 4 9 1 116 300.35 3 ↓
Hi High (pH 8-9.5) 0.21 4.46 -15.42 3 9 0 114 299.342 3 ↓

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

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