UCSF

ZINC41633152

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 23 Yes

Popular Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide (2S)-N-(1,3-benzothiazol-2-yl)-2…

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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) 2.01 4.89 -17.02 2 7 0 101 347.425 4 ↓
Mid Mid (pH 6-8) 3.39 1.89 -48.73 1 7 -1 107 346.417 3 ↓

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

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