| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 22 | Yes |
Popular Name: N-[(1R)-1-(1-isoquinolyl)-2-phenyl-ethyl]propan-1-amine N-[(1R)-1-(1-isoquinolyl)-2-phen…
| 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) | 4.71 | 11.47 | -107.08 | 3 | 2 | 2 | 31 | 292.426 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.71 | 9.86 | -4.79 | 1 | 2 | 0 | 25 | 290.41 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.71 | 10.71 | -33.35 | 2 | 2 | 1 | 29 | 291.418 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 10.34 | -30.46 | 2 | 2 | 1 | 26 | 291.418 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
