| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 19 | Yes |
Popular Name: (1R)-1-(1-isoquinolyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (1R)-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 | 5.47 | -29.88 | 2 | 4 | 1 | 44 | 253.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 4.93 | -13.42 | 1 | 4 | 0 | 43 | 252.321 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 7.05 | -82.25 | 3 | 4 | 2 | 45 | 254.337 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 6.11 | -37.05 | 2 | 4 | 1 | 47 | 253.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 5.74 | -25.37 | 2 | 4 | 1 | 44 | 253.329 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
