| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 17 | Yes |
Popular Name: (1S)-N-butyl-1-(3,4-dimethylphenyl)-N-methyl-ethane-1,2-diamine (1S)-N-butyl-1-(3,4-dimethylphen…
| 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) | 2.99 | 7.75 | -117.01 | 4 | 2 | 2 | 32 | 236.403 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 8.04 | -29.46 | 3 | 2 | 1 | 30 | 235.395 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 5.49 | -45.37 | 3 | 2 | 1 | 31 | 235.395 | 6 | ↓ |
