UCSF

ZINC36642220

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Substance Information

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

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

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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) 1.86 9.9 -40.54 1 7 1 65 360.463 6 ↓
Hi High (pH 8-9.5) 1.86 7.15 -11.47 0 7 0 63 359.455 6 ↓
Lo Low (pH 4.5-6) 1.86 8.94 -105.25 2 7 2 66 361.471 6 ↓

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

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