| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 16 | Yes |
Popular Name: (3S,4S)-N3-propyl-N3-(2,2,2-trifluoroethyl)tetrahydropyran-3,4-diamine (3S,4S)-N3-propyl-N3-(2,2,2-trif…
| 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) | 1.11 | 1.27 | -48.7 | 3 | 3 | 1 | 40 | 241.277 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 1.03 | -3.79 | 2 | 3 | 0 | 38 | 240.269 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 2.81 | -35.8 | 3 | 3 | 1 | 40 | 241.277 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 3.3 | -116.79 | 4 | 3 | 2 | 41 | 242.285 | 5 | ↓ |
