| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 19 | Yes |
Popular Name: (1S)-1-(5-isoquinolyl)-N-methyl-1-pyrimidin-4-yl-methanamine (1S)-1-(5-isoquinolyl)-N-methyl-…
| 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) | 1.65 | 6.75 | -53.13 | 2 | 4 | 1 | 55 | 251.313 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 5.78 | -7.9 | 1 | 4 | 0 | 51 | 250.305 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | 7.22 | -96.27 | 3 | 4 | 2 | 57 | 252.321 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
