| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 21 | Yes |
Popular Name: (1S)-N,N-diethyl-1-phenyl-N'-(3-pyridylmethyl)ethane-1,2-diamine (1S)-N,N-diethyl-1-phenyl-N'-(3-…
| 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) | 2.62 | 7.54 | -35.25 | 2 | 3 | 1 | 29 | 284.427 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 7.48 | -43.83 | 2 | 3 | 1 | 33 | 284.427 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 6.14 | -4.07 | 1 | 3 | 0 | 28 | 283.419 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.62 | 9.2 | -85.35 | 3 | 3 | 2 | 31 | 285.435 | 8 | ↓ |
