| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N1-isopropyl-1-(p-tolyl)-N1-(2,2,2-trifluoroethyl)butane-1,2-diamine (1S,2S)-N1-isopropyl-1-(p-tolyl)…
| 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) | 3.71 | 6.44 | -48.6 | 3 | 2 | 1 | 31 | 303.392 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 6.06 | -2.2 | 2 | 2 | 0 | 29 | 302.384 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.71 | 7.89 | -117.21 | 4 | 2 | 2 | 32 | 304.4 | 7 | ↓ |
