| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 19 | Yes |
Popular Name: (1S)-1-(1-isoquinolyl)-N-methyl-1-(1-methylimidazol-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) | 1.79 | 5.56 | -27.55 | 2 | 4 | 1 | 44 | 253.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 6.41 | -37.72 | 2 | 4 | 1 | 47 | 253.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 5.71 | -29.85 | 2 | 4 | 1 | 44 | 253.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 5.99 | -81.56 | 3 | 4 | 2 | 45 | 254.337 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 5.03 | -13.63 | 1 | 4 | 0 | 43 | 252.321 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
