| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 16 | Yes |
Popular Name: (3S,4S)-N3-(2-dimethylaminoethyl)-N3-propyl-tetrahydropyran-3,4-diamine (3S,4S)-N3-(2-dimethylaminoethyl…
| 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) | 0.22 | 2.73 | -93.08 | 4 | 4 | 2 | 45 | 231.384 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.22 | 3.9 | -105.66 | 4 | 4 | 2 | 44 | 231.384 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.22 | 1.44 | -32.03 | 3 | 4 | 1 | 43 | 230.376 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.22 | 1.79 | -115.27 | 4 | 4 | 2 | 45 | 231.384 | 6 | ↓ |
