UCSF

ZINC12411773

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 27 No

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

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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) 2.88 5.94 -10.21 1 6 0 108 359.433 3 ↓
Mid Mid (pH 6-8) 2.88 2.3 -113.31 3 6 2 111 361.449 3 ↓
Lo Low (pH 4.5-6) 2.88 8.4 -56.73 2 6 1 109 360.441 3 ↓

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