UCSF

ZINC31881424

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 34 Yes

Popular Name: 1-Isoquinolinemethanamine, 6,7-dimethoxy-alpha-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)-; BRN 0464561; LS-85722; alpha-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-N-(2-phenylethyl)-1-isoquinolinemethanamine 1-Isoquinolinemethanamine, 6,7-d…

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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) 4.70 10.39 -12.48 1 6 0 62 458.558 10 ↓
Mid Mid (pH 6-8) 4.70 10.89 -36.81 2 6 1 63 459.566 10 ↓
Lo Low (pH 4.5-6) 4.70 11.41 -51.03 2 6 1 66 459.566 10 ↓

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

No pre-computed analogs available. Try a structural similarity search.