UCSF

ZINC39367478

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 18 Yes

Popular Name: (4S)-2-benzyl-3,4-dihydro-1H-isoquinolin-4-amine (4S)-2-benzyl-3,4-dihydro-1H-iso…

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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) 0.44 5.41 -47.23 3 2 1 31 239.342 2 ↓
Mid Mid (pH 6-8) 0.44 7.37 -37.42 3 2 1 30 239.342 2 ↓
Mid Mid (pH 6-8) 0.44 5.09 -4.21 2 2 0 29 238.334 2 ↓

Activity (Go SEA)

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