| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | Yes |
Popular Name: (1R,2S)-N1-methyl-1-(p-tolyl)-N1-(4-pyridylmethyl)butane-1,2-diamine (1R,2S)-N1-methyl-1-(p-tolyl)-N1…
| 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) | 2.22 | 8.54 | -126.43 | 4 | 3 | 2 | 45 | 285.435 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 8.23 | -40.15 | 3 | 3 | 1 | 43 | 284.427 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 5.79 | -47.5 | 3 | 3 | 1 | 44 | 284.427 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 6.24 | -89.55 | 4 | 3 | 2 | 45 | 285.435 | 6 | ↓ |
