| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 21 | Yes |
Popular Name: (1S)-1-(3,4-dimethylphenyl)-N'-isobutyl-N'-(2-methoxyethyl)-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) | 3.64 | 9.71 | -112.75 | 3 | 3 | 2 | 30 | 294.483 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 5.2 | -3.29 | 1 | 3 | 0 | 24 | 292.467 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.64 | 8.43 | -31.8 | 2 | 3 | 1 | 29 | 293.475 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.64 | 8.7 | -33.26 | 2 | 3 | 1 | 26 | 293.475 | 9 | ↓ |
