UCSF

ZINC69138754

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 19 No

Popular Name: [(3S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxo-thian-3-yl]methanamine [(3S)-3-(6,8-dihydro-5H-imidazo[…

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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) -1.57 0.2 -109.85 4 6 2 84 286.401 2 ↓
Hi High (pH 8-9.5) -1.57 -0.98 -14.72 2 6 0 81 284.385 2 ↓
Hi High (pH 8-9.5) -1.57 -0.26 -62.13 3 6 1 83 285.393 2 ↓
Hi High (pH 8-9.5) -1.57 -0.08 -41.32 3 6 1 82 285.393 2 ↓

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Rings

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

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