UCSF

ZINC05199824

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 27 No

Popular Name: 6-amino-8-(4-dimethylaminophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile 6-amino-8-(4-dimethylaminophenyl…

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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) 2.47 5.67 -9.4 2 6 0 104 358.449 2 ↓
Mid Mid (pH 6-8) 2.55 2.36 -105.01 3 6 2 104 360.465 2 ↓
Lo Low (pH 4.5-6) 2.47 5.46 -43.85 3 6 1 105 359.457 2 ↓

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