UCSF

ZINC17975576

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 25 Yes

Popular Name: (2S)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfa (2S)-N-(3-cyano-4,5,6,7-tetrahyd…

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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) 2.09 5.83 -12.85 2 7 0 112 375.479 4 ↓
Mid Mid (pH 6-8) 2.55 4.1 -42.86 1 7 -1 115 374.471 4 ↓

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Rings

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

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