UCSF

ZINC04312123

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 32 No

Popular Name: 6-amino-8-(2-methoxy-1-naphthyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile 6-amino-8-(2-methoxy-1-naphthyl)…

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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) 3.94 8.31 -10.09 2 6 0 110 423.52 4 ↓
Mid Mid (pH 6-8) 4.02 2.79 -98.41 3 6 2 110 425.536 4 ↓
Lo Low (pH 4.5-6) 3.94 8.52 -45.31 3 6 1 111 424.528 4 ↓

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