UCSF

ZINC36641288

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 34 Yes

Popular Name: 3-(2-chlorophenyl)-N-(2-diethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-isoxazole 3-(2-chlorophenyl)-N-(2-diethyla…

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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) 6.15 15.67 -47.77 1 6 1 64 498.072 8 ↓
Hi High (pH 8-9.5) 6.15 13.52 -13.76 0 6 0 62 497.064 8 ↓

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

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