| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N1-isopropyl-N1-pentyl-1-phenyl-propane-1,2-diamine (1S,2R)-N1-isopropyl-N1-pentyl-1…
| 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) | 3.75 | 8 | -108.57 | 4 | 2 | 2 | 32 | 264.457 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 7.66 | -29.12 | 3 | 2 | 1 | 30 | 263.449 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 6.48 | -38.52 | 3 | 2 | 1 | 31 | 263.449 | 8 | ↓ |
