UCSF

ZINC63752193

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 29 No

Popular Name: (3S)-1-[(2S,7aR)-7-oxo-3,7a-dihydro-2H-thiazolo[4,5-d]pyrimidin-2-yl]-N-(1,3-benzodioxol-5-ylmethyl) (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) 0.59 2.52 -24.54 2 9 0 105 415.475 4 ↓
Hi High (pH 8-9.5) 0.59 1.72 -42.15 1 9 -1 107 414.467 4 ↓
Mid Mid (pH 6-8) 0.59 2.95 -56.72 3 9 1 106 416.483 4 ↓

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

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