In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 19 | Yes |
Popular Name: 1-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[(2S)-tetrahydropyran-2-yl]methyl]methanamine 1-[(3S)-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) | 1.79 | 5.51 | -41.4 | 3 | 3 | 1 | 38 | 261.389 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 4.09 | -3.98 | 2 | 3 | 0 | 33 | 260.381 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 5.39 | -39.26 | 3 | 3 | 1 | 38 | 261.389 | 4 | ↓ |