| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 17 | Yes |
Popular Name: (3S,4S)-N3-(2-dimethylaminoethyl)-N4-methyl-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) | 1.13 | 3.46 | -111.91 | 3 | 4 | 2 | 34 | 245.411 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.13 | 1.79 | -34.84 | 2 | 4 | 1 | 32 | 244.403 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.13 | 0.74 | -1.23 | 1 | 4 | 0 | 28 | 243.395 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.13 | 3.21 | -36.02 | 2 | 4 | 1 | 29 | 244.403 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 4.26 | -91.39 | 3 | 4 | 2 | 34 | 245.411 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 2.49 | -32.46 | 2 | 4 | 1 | 29 | 244.403 | 7 | ↓ |
