UCSF

ZINC56688904

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 20 No

Popular Name: (11R)-10-oxo-3-propyl-8-sulfanyl-9-oxa-3-azaspiro[5.5]undec-7-ene-7,11-dicarbonitrile (11R)-10-oxo-3-propyl-8-sulfanyl…

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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) 1.15 3.92 -34.35 1 5 -1 80 290.368 2 ↓
Hi High (pH 8-9.5) 1.15 4.95 -91.68 0 5 -2 83 289.36 2 ↓
Mid Mid (pH 6-8) 1.15 6.16 -45.14 2 5 0 81 291.376 2 ↓

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

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