UCSF

ZINC70190189

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 19 Yes

Popular Name: N-methyl-2-(1-thieno[3,2-d]pyrimidin-4-yl-4-piperidyl)ethanamine N-methyl-2-(1-thieno[3,2-d]pyrim…

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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) 2.54 7.54 -48.33 2 4 1 46 277.417 4 ↓
Lo Low (pH 4.5-6) 2.54 8 -77.98 3 4 2 47 278.425 4 ↓

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

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