| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 19 | Yes |
Popular Name: (3S,4R)-N3-(2-dimethylaminoethyl)-N4-ethyl-N3-isobutyl-tetrahydropyran-3,4-diamine (3S,4R)-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) | 1.75 | 4.51 | -112.38 | 3 | 4 | 2 | 34 | 273.465 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 2.91 | -35.82 | 2 | 4 | 1 | 32 | 272.457 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 4.26 | -37.69 | 2 | 4 | 1 | 29 | 272.457 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 1.8 | -1.19 | 1 | 4 | 0 | 28 | 271.449 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | 3.33 | -32.16 | 2 | 4 | 1 | 29 | 272.457 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | 5.37 | -98.85 | 3 | 4 | 2 | 34 | 273.465 | 8 | ↓ |
