| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 22 | Yes |
Popular Name: (1S)-N,N-diethyl-1-phenyl-N'-[(1R)-1-(4-pyridyl)ethyl]ethane-1,2-diamine (1S)-N,N-diethyl-1-phenyl-N'-[(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) | 3.13 | 7.01 | -3.2 | 1 | 3 | 0 | 28 | 297.446 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 9.88 | -87.92 | 3 | 3 | 2 | 31 | 299.462 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 8.11 | -42.92 | 2 | 3 | 1 | 33 | 298.454 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 9.54 | -124.99 | 3 | 3 | 2 | 34 | 299.462 | 8 | ↓ |
