| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (3S,4R)-N3-(2-dimethylaminoethyl)-N3,N4-dipropyl-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) | 2.01 | 5.16 | -111.06 | 3 | 4 | 2 | 34 | 273.465 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 3.08 | -36.3 | 2 | 4 | 1 | 32 | 272.457 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 1.96 | -1.33 | 1 | 4 | 0 | 28 | 271.449 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 4.44 | -34.74 | 2 | 4 | 1 | 29 | 272.457 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 5.56 | -93.27 | 3 | 4 | 2 | 34 | 273.465 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 3.61 | -32.55 | 2 | 4 | 1 | 29 | 272.457 | 9 | ↓ |
