UCSF

ZINC36642635

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 Yes

Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-1-methyl-imidazole-2-carboxamide N-(4,6-difluoro-1,3-benzothiazol…

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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) 2.05 10.75 -37.33 1 6 1 55 366.417 5 ↓
Hi High (pH 8-9.5) 2.05 8.26 -9.42 0 6 0 54 365.409 5 ↓
Lo Low (pH 4.5-6) 2.05 9.8 -104.04 2 6 2 57 367.425 5 ↓

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

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