UCSF

ZINC67561117

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 25 Yes

Popular Name: (3R)-1-[3-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]-2-pyridyl]piperidin-3-ol (3R)-1-[3-[[(7-methylthieno[3,2-…

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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) 1.97 7.13 -39.58 3 6 1 75 356.475 4 ↓
Mid Mid (pH 6-8) 1.97 6.8 -10.02 2 6 0 74 355.467 4 ↓
Lo Low (pH 4.5-6) 1.97 7.58 -76.58 4 6 2 77 357.483 4 ↓

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

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