UCSF

ZINC69157750

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 22 No

Popular Name: (5S)-2-(2-quinolylmethyl)-7-thia-2,4-diazaspiro[4.4]nonane-1,3-dione (5S)-2-(2-quinolylmethyl)-7-thia…

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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) 1.36 5.77 -12.43 1 5 0 62 313.382 2 ↓
Lo Low (pH 4.5-6) 1.36 6.17 -29.12 2 5 1 64 314.39 2 ↓

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

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