UCSF

ZINC49575382

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 No

Popular Name: 5,6-dimethyl-3-[2-(1-piperidyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 5,6-dimethyl-3-[2-(1-piperidyl)e…

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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) 2.34 9.83 -32.04 2 4 1 42 324.495 3 ↓
Mid Mid (pH 6-8) 2.79 8.69 -31.43 1 4 0 45 323.487 3 ↓

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

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