| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 20 | Yes |
Popular Name: (3S,4R)-N3-[(4-methoxyphenyl)methyl]-N3,N4-dimethyl-heptane-3,4-diamine (3S,4R)-N3-[(4-methoxyphenyl)met…
| 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) | 3.87 | 8.53 | -117.5 | 3 | 3 | 2 | 30 | 280.456 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.87 | 7.22 | -35.99 | 2 | 3 | 1 | 26 | 279.448 | 9 | ↓ |
