UCSF

ZINC22733553

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 25 No

Popular Name: (E)-1-(2,4-dichlorophenyl)-3-methylamino-3-sulfanyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)prop (E)-1-(2,4-dichlorophenyl)-3-met…

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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) 0.13 11.63 -32.55 1 3 1 33 394.347 4 ↓
Hi High (pH 8-9.5) 0.13 12.09 -33.79 1 3 0 33 393.339 4 ↓

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

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