UCSF

ZINC70189742

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 21 Yes

Popular Name: 2-[[4-[2-(methylamino)ethyl]-1-piperidyl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[4-[2-(methylamino)ethyl]-1-p…

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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) 2.12 4.18 -92.31 3 5 1 70 307.443 5 ↓
Mid Mid (pH 6-8) 1.66 6.82 -108.4 4 5 2 67 308.451 5 ↓

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

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