UCSF

ZINC69816198

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 21 No

Popular Name: (5R)-3-[(1R)-1-(2-pyridyl)butyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5R)-3-[(1R)-1-(2-pyridyl)butyl]…

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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) 1.69 8.79 -10.23 0 4 0 50 304.415 4 ↓
Lo Low (pH 4.5-6) 1.69 8.86 -36.24 1 4 1 52 305.423 4 ↓

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

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