| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 20 | Yes |
Popular Name: (2S)-4-[2-dimethylaminoethyl(propyl)amino]-2-(isopropylamino)-2-methyl-butanamide (2S)-4-[2-dimethylaminoethyl(pro…
| 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) | 1.15 | 3.36 | -89.07 | 5 | 5 | 2 | 67 | 288.48 | 11 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 1.63 | -37.41 | 4 | 5 | 1 | 63 | 287.472 | 11 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 1.88 | -35.67 | 4 | 5 | 1 | 63 | 287.472 | 11 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 0.84 | -43.22 | 4 | 5 | 1 | 66 | 287.472 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 4.05 | -106.34 | 5 | 5 | 2 | 64 | 288.48 | 11 | ↓ |
