UCSF

ZINC69138561

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Substance Information

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

Popular Name: [(3S)-3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1,1-dioxo-thian-3-yl]me [(3S)-3-[(4aR,7aS)-3,4a,5,6,7,7a…

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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) -0.26 -0.94 -49.43 3 5 1 74 289.421 2 ↓
Hi High (pH 8-9.5) -0.26 -1.77 -10.12 2 5 0 73 288.413 2 ↓
Lo Low (pH 4.5-6) -0.26 0.74 -133.83 4 5 2 75 290.429 2 ↓

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

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