In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | Yes |
Popular Name: N',N'-diisopropyl-N-[(1R)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]ethane-1,2-diamine N',N'-diisopropyl-N-[(1R)-1-(2,4…
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) | 3.40 | 7.19 | -39 | 2 | 3 | 1 | 33 | 292.491 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.40 | 6.55 | -4.4 | 1 | 3 | 0 | 28 | 291.483 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 9.13 | -115.86 | 3 | 3 | 2 | 34 | 293.499 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 8.39 | -35.5 | 2 | 3 | 1 | 29 | 292.491 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 8.47 | -72.79 | 3 | 3 | 2 | 31 | 293.499 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.40 | 9.52 | -188.71 | 4 | 3 | 3 | 35 | 294.507 | 7 | ↓ |