| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 21 | Yes |
Popular Name: (1R)-N'-(2-dimethylaminoethyl)-1-(4-isopropylphenyl)-N'-propyl-ethane-1,2-diamine (1R)-N'-(2-dimethylaminoethyl)-1…
| 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) | 1.88 | 8.21 | -104.59 | 4 | 3 | 2 | 35 | 293.499 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 7.5 | -32.8 | 3 | 3 | 1 | 34 | 292.491 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 7.82 | -35.95 | 3 | 3 | 1 | 34 | 292.491 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 5.74 | -41.45 | 3 | 3 | 1 | 34 | 292.491 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | 10.08 | -235.82 | 5 | 3 | 3 | 37 | 294.507 | 9 | ↓ |
