UCSF

ZINC22693909

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 31 Yes

Popular Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[[(2R)-4-isobutylmorpholin-2-yl]methyl]hexanamide (2S)-2-[(1,1-dioxo-1,2-benzothia…

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Download: MOL2 SDF SMILES Flexibase

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) 2.06 3.96 -19.26 2 8 0 100 450.605 10 ↓
Hi High (pH 8-9.5) 2.06 3.02 -46.49 1 8 -1 102 449.597 10 ↓
Mid Mid (pH 6-8) 2.06 5.98 -57.58 3 8 1 101 451.613 10 ↓

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

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