UCSF

ZINC55482999

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 20 Yes

Popular Name: N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine N-benzyl-2-(3,4-dihydro-1H-isoqu…

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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) 2.92 8.29 -43.81 2 2 1 20 267.396 5 ↓
Hi High (pH 8-9.5) 2.92 6.92 -3.53 1 2 0 15 266.388 5 ↓
Lo Low (pH 4.5-6) 2.92 10.55 -128.8 3 2 2 21 268.404 5 ↓

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