UCSF

ZINC63752176

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 27 No

Popular Name: (3S)-1-[(2S,7aR)-7-oxo-3,7a-dihydro-2H-thiazolo[4,5-d]pyrimidin-2-yl]-N-(3,5-dimethylphenyl)piperidi (3S)-1-[(2S,7aR)-7-oxo-3,7a-dihy…

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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) 1.82 5.08 -23.65 2 7 0 86 385.493 3 ↓
Hi High (pH 8-9.5) 1.82 4.27 -41.48 1 7 -1 88 384.485 3 ↓
Mid Mid (pH 6-8) 1.82 5.51 -53.96 3 7 1 88 386.501 3 ↓
Mid Mid (pH 6-8) 1.82 5.29 -52.79 3 7 1 88 386.501 3 ↓

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

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