UCSF

ZINC69901700

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 22 Yes

Popular Name: (2S)-1-[4-[[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-1-piperidyl]propan-2-ol (2S)-1-[4-[[methyl(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) 2.06 7.23 -39.12 2 5 1 54 321.47 5 ↓
Lo Low (pH 4.5-6) 2.06 7.68 -75.87 3 5 2 55 322.478 5 ↓

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

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