| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 16 | Yes |
Popular Name: (2S)-N',N',3-trimethyl-N-(3-pyridylmethyl)butane-1,2-diamine (2S)-N',N',3-trimethyl-N-(3-pyri…
| 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) | 1.40 | 4.5 | -41.16 | 2 | 3 | 1 | 33 | 222.356 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 5.99 | -120.95 | 3 | 3 | 2 | 34 | 223.364 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 5.13 | -36.87 | 2 | 3 | 1 | 29 | 222.356 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.40 | 5.57 | -83.87 | 3 | 3 | 2 | 31 | 223.364 | 6 | ↓ |
