UCSF

ZINC31982321

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 Yes

Popular Name: Isoquinoline, 1,2,3,4-tetrahydro-3-methyl-4-phenyl-, hydrobromide, (E)-; Isoquinoline, 3-methyl-4-phenyl-1,2,3,4-tetrahydro-, hydrobromide, (E)-; LS-86013; trans-3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrobromide Isoquinoline, 1,2,3,4-tetrahydro…

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Vendors

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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) 3.20 6.71 -2.92 1 1 0 12 223.319 1 ↓
Mid Mid (pH 6-8) 3.20 7.98 -42.67 2 1 1 17 224.327 1 ↓

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