In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2008 | 23 | Yes |
Popular Name: 1-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine 1-[(1S)-1,2,3,4-tetrahydroisoqui…
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) | 3.70 | 6.9 | -4.19 | 2 | 2 | 0 | 24 | 320.358 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.70 | 8.21 | -36.06 | 3 | 2 | 1 | 29 | 321.366 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.70 | 8.3 | -38.47 | 3 | 2 | 1 | 29 | 321.366 | 5 | ↓ |