| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 17 | Yes |
Popular Name: (3S,4R)-N3-methyl-N3-(2-pyridylmethyl)heptane-3,4-diamine (3S,4R)-N3-methyl-N3-(2-pyridylm…
| 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) | 1.74 | 4.37 | -46.87 | 3 | 3 | 1 | 44 | 236.383 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 4.39 | -92.51 | 4 | 3 | 2 | 45 | 237.391 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 5.74 | -31.49 | 3 | 3 | 1 | 43 | 236.383 | 7 | ↓ |
