| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 21 | Yes |
Popular Name: (1S)-1-(1-isoquinolyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine (1S)-1-(1-isoquinolyl)-N-methyl-…
| 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) | 2.67 | 7 | -29.05 | 2 | 4 | 1 | 44 | 281.383 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | 7.87 | -37.63 | 2 | 4 | 1 | 47 | 281.383 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | 7.69 | -25.51 | 2 | 4 | 1 | 44 | 281.383 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | 8.15 | -83.08 | 3 | 4 | 2 | 45 | 282.391 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | 6.47 | -12.75 | 1 | 4 | 0 | 43 | 280.375 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
