| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (3S,4S)-N3-(2-dimethylaminoethyl)-N3,N4-dipropyl-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) | 2.01 | 5.14 | -113.58 | 3 | 4 | 2 | 34 | 273.465 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 3.24 | -35.35 | 2 | 4 | 1 | 32 | 272.457 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 1.75 | -1.49 | 1 | 4 | 0 | 28 | 271.449 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 4.22 | -33.61 | 2 | 4 | 1 | 29 | 272.457 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 5.72 | -89.14 | 3 | 4 | 2 | 34 | 273.465 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 4.07 | -29.76 | 2 | 4 | 1 | 29 | 272.457 | 9 | ↓ |
