UCSF

ZINC22696827

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 29 No

Popular Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(3-thienylmethylsulfanyl)ethyl]hexanamide (2S)-2-[(1,1-dioxo-1,2-benzothia…

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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) 2.78 6.93 -23.01 2 6 0 88 451.639 11 ↓
Hi High (pH 8-9.5) 2.78 5.99 -49 1 6 -1 90 450.631 11 ↓

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

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