| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 21 | Yes |
Popular Name: (1R)-N-isobutyl-N-methyl-1-(2,3,4-trimethoxyphenyl)ethane-1,2-diamine (1R)-N-isobutyl-N-methyl-1-(2,3,…
| 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) | 1.68 | 5.94 | -127.95 | 4 | 5 | 2 | 60 | 298.427 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 5.59 | -37.34 | 3 | 5 | 1 | 58 | 297.419 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 3.81 | -54.04 | 3 | 5 | 1 | 59 | 297.419 | 8 | ↓ |
