UCSF

ZINC49544124

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 30 No

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

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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) 2.64 8.41 -52.4 0 7 -1 91 427.55 6 ↓
Mid Mid (pH 6-8) 2.46 9.76 -29.47 1 7 0 84 428.558 6 ↓

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

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