| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 18 | Yes |
Popular Name: (S)-1-isoquinolyl-(1-methylimidazol-2-yl)methanamine (S)-1-isoquinolyl-(1-methylimida…
| 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) | 1.41 | 4.92 | -29.02 | 3 | 4 | 1 | 58 | 239.302 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 4.41 | -12.14 | 2 | 4 | 0 | 57 | 238.294 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 5.3 | -85.49 | 4 | 4 | 2 | 59 | 240.31 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 4.74 | -28.72 | 3 | 4 | 1 | 58 | 239.302 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.41 | 4.73 | -42.16 | 3 | 4 | 1 | 58 | 239.302 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
