| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 21 | Yes |
Popular Name: 3-[(S)-ethylamino(1-isoquinolyl)methyl]pyridin-2-amine 3-[(S)-ethylamino(1-isoquinolyl)…
| 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) | 2.54 | 6.15 | -38.12 | 4 | 4 | 1 | 68 | 279.367 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 5.02 | -7.47 | 3 | 4 | 0 | 64 | 278.359 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.54 | 6.63 | -95.14 | 5 | 4 | 2 | 70 | 280.375 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
