UCSF

ZINC70194020

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 2.47 6.97 -40.2 2 4 1 46 277.417 4 ↓
Lo Low (pH 4.5-6) 2.47 7.42 -86.2 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.