UCSF

ZINC04311770

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 30 No

Popular Name: 6-amino-8-(2-methoxy-1-naphthyl)-2-methyl-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) 3.06 7.05 -10.35 2 6 0 110 395.466 2 ↓
Mid Mid (pH 6-8) 3.14 2.77 -98.43 3 6 2 110 397.482 2 ↓
Lo Low (pH 4.5-6) 3.06 7.25 -45.47 3 6 1 111 396.474 2 ↓

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