UCSF

ZINC67172771

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 18 Yes

Popular Name: 2-[4-(aminomethyl)piperidin-1-yl][1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one 2-[4-(aminomethyl)piperidin-1-yl…

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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) 0.47 1.47 -91.2 3 6 0 93 265.342 2 ↓
Mid Mid (pH 6-8) 0.01 3.38 -63.67 4 6 1 90 266.35 2 ↓

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Rings

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

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