UCSF

ZINC52407658

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 23 Yes

Popular Name: N-[1-(2-pyridylmethyl)-4-piperidyl]-7H-purin-6-amine N-[1-(2-pyridylmethyl)-4-piperid…

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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) 1.26 8.3 -42.71 3 7 1 84 310.385 4 ↓
Hi High (pH 8-9.5) 1.26 6.05 -12.05 2 7 0 83 309.377 4 ↓

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

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