| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 19 | Yes |
Popular Name: 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-isoquinolin-1-amine 3-(aminomethyl)-N-(3-methoxyprop…
| 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) | 2.17 | 5.5 | -43.28 | 3 | 4 | 1 | 53 | 260.361 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 5.1 | -7.52 | 2 | 4 | 0 | 51 | 259.353 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 5.5 | -23.6 | 3 | 4 | 1 | 53 | 260.361 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
