UCSF

ZINC04452963

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 31 No

Popular Name: 6-amino-2-ethyl-8-(3-methoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile 6-amino-2-ethyl-8-(3-methoxy-4-p…

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Other Names:

MFCD03300949

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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) 3.35 7.32 -18 1 7 0 117 417.513 6 ↓
Mid Mid (pH 6-8) 3.35 2.59 -119.4 3 7 2 119 419.529 6 ↓
Lo Low (pH 4.5-6) 3.35 9.63 -63.4 2 7 1 118 418.521 6 ↓

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