| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 21 | Yes |
Popular Name: 3-[(2S)-3-[[2-(dimethylamino)-2-methyl-propyl]amino]-2-hydroxy-propoxy]benzonitrile 3-[(2S)-3-[[2-(dimethylamino)-2-…
| 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) | 1.35 | 3.3 | -48.65 | 3 | 5 | 1 | 73 | 292.403 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.35 | 4.17 | -37.17 | 3 | 5 | 1 | 70 | 292.403 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.35 | 5.42 | -123.24 | 4 | 5 | 2 | 74 | 293.411 | 8 | ↓ |
