| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 19 | Yes |
Popular Name: 3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-isoquinolin-1-amine 3-(aminomethyl)-N-(cyclobutylmet…
| 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) | 2.96 | 7.7 | -42.81 | 3 | 3 | 1 | 44 | 256.373 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 7.3 | -5.43 | 2 | 3 | 0 | 42 | 255.365 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 7.71 | -22.51 | 3 | 3 | 1 | 43 | 256.373 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
