| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 14 | Yes |
Popular Name: (3S)-3-[[2-(dimethylamino)-2-methyl-propyl]amino]pentanenitrile (3S)-3-[[2-(dimethylamino)-2-met…
| 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) | 1.26 | 5.22 | -32.24 | 2 | 3 | 1 | 40 | 198.334 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 2.66 | -4.87 | 1 | 3 | 0 | 39 | 197.326 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 4.21 | -40.88 | 2 | 3 | 1 | 44 | 198.334 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 6.22 | -114.3 | 3 | 3 | 2 | 45 | 199.342 | 6 | ↓ |
