| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 23 | Yes |
Popular Name: 1-propyl-3-(2-pyridylmethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 1-propyl-3-(2-pyridylmethylamino…
| 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) | 3.46 | 9.28 | -7.53 | 1 | 4 | 0 | 62 | 306.413 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.46 | 9.67 | -33.98 | 2 | 4 | 1 | 63 | 307.421 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.46 | 9.99 | -96.02 | 3 | 4 | 2 | 64 | 308.429 | 5 | ↓ |
