| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 20 | Yes |
Popular Name: (1S)-1-(3,4-dimethylphenyl)-N'-isobutyl-N'-isopropyl-N-methyl-ethane-1,2-diamine (1S)-1-(3,4-dimethylphenyl)-N'-i…
| 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) | 4.33 | 10.77 | -112.74 | 3 | 2 | 2 | 21 | 278.484 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 9.54 | -34.36 | 2 | 2 | 1 | 20 | 277.476 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.33 | 9.81 | -31.67 | 2 | 2 | 1 | 16 | 277.476 | 7 | ↓ |
