| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2009 | 16 | Yes |
Popular Name: (2S)-3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-methyl-propanamidine (2S)-3-[(4aS,8aS)-3,4,4a,5,6,7,8…
| 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) | 2.46 | 5.68 | -102.64 | 5 | 3 | 2 | 56 | 225.38 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.82 | 5.91 | -27.02 | 5 | 3 | 1 | 56 | 224.372 | 3 | ↓ |
