| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 21 | Yes |
Popular Name: (1S)-N-butyl-N-methyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine (1S)-N-butyl-N-methyl-1-(3,4,5-t…
| 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) | 1.80 | 5.82 | -141.13 | 4 | 5 | 2 | 60 | 298.427 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 3.89 | -56.64 | 3 | 5 | 1 | 59 | 297.419 | 9 | ↓ |
