UCSF

ZINC63752207

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 30 No

Popular Name: (3S)-1-[(2S,7aR)-7-oxo-3,7a-dihydro-2H-thiazolo[4,5-d]pyrimidin-2-yl]-N-[(3,4-dimethoxyphenyl)methyl (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) 0.35 3.06 -25 2 9 0 105 431.518 6 ↓
Hi High (pH 8-9.5) 0.35 2.26 -42.57 1 9 -1 107 430.51 6 ↓
Mid Mid (pH 6-8) 0.35 3.26 -55.61 3 9 1 106 432.526 6 ↓
Mid Mid (pH 6-8) 0.35 3.48 -56.95 3 9 1 106 432.526 6 ↓

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

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