UCSF

ZINC65321243

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 20 No

Popular Name: (5R)-2-ethylsulfanyl-9-methyl-4-oxo-3,9-diazaspiro[5.5]undec-1-ene-1,5-dicarbonitrile (5R)-2-ethylsulfanyl-9-methyl-4-…

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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) 1.13 5.13 -58.31 1 5 0 81 291.4 2 ↓
Hi High (pH 8-9.5) 0.98 1.75 -25.64 0 5 0 86 289.384 2 ↓
Hi High (pH 8-9.5) 0.98 1.02 -14.45 1 5 0 83 290.392 2 ↓
Mid Mid (pH 6-8) 1.13 2.73 -16.11 0 5 0 80 290.392 2 ↓

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

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