UCSF

ZINC36643085

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 Yes

Popular Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-1-methyl-imidazole-2-carboxamide N-(5-chloro-4-methyl-1,3-benzoth…

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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) 3.60 13.1 -42.49 1 6 1 55 406.963 7 ↓
Hi High (pH 8-9.5) 3.60 10.96 -11.24 0 6 0 54 405.955 7 ↓
Lo Low (pH 4.5-6) 3.60 13.24 -110.3 2 6 2 57 407.971 7 ↓

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

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