UCSF

ZINC55422214

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 19 Yes

Popular Name: 2-[[(3R)-3-(hydroxymethyl)-1-piperidyl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[(3R)-3-(hydroxymethyl)-1-pip…

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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) 1.25 0.96 -47.62 2 5 0 74 279.365 3 ↓
Mid Mid (pH 6-8) 0.79 3.6 -52.55 3 5 1 70 280.373 3 ↓

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

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