| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 17 | Yes |
Popular Name: (3S)-N1-methyl-N3-propyl-N1-(2-pyridylmethyl)butane-1,3-diamine (3S)-N1-methyl-N3-propyl-N1-(2-p…
| 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) | 1.84 | 5.43 | -39.24 | 2 | 3 | 1 | 33 | 236.383 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 6.73 | -31.92 | 2 | 3 | 1 | 29 | 236.383 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 5.46 | -82.94 | 3 | 3 | 2 | 34 | 237.391 | 8 | ↓ |
