UCSF

ZINC49545932

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 No

Popular Name: (4S)-2-(2-methoxyethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohex (4S)-2-(2-methoxyethyl)-N-(5-met…

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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) 2.07 7.65 -52.38 0 7 -1 91 413.523 5 ↓
Mid Mid (pH 6-8) 1.88 9 -29.96 1 7 0 84 414.531 5 ↓

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

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