UCSF

ZINC49432231

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 18 Yes

Popular Name: (3S)-3-(thieno[3,2-d]pyrimidin-4-ylamino)azepan-2-one (3S)-3-(thieno[3,2-d]pyrimidin-4…

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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) 1.28 3.93 -13.72 2 5 0 67 262.338 2 ↓
Lo Low (pH 4.5-6) 1.28 4.39 -33.07 3 5 1 68 263.346 2 ↓

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

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