| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 27th, 2011 | 15 | Yes |
Popular Name: N1-[2-[[(1S)-1,3-dimethylbutyl]amino]ethyl]-2-methyl-propane-1,2-diamine N1-[2-[[(1S)-1,3-dimethylbutyl]a…
| 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) | 1.74 | 2.58 | -93 | 6 | 3 | 2 | 56 | 217.401 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 0.88 | -0.82 | 4 | 3 | 0 | 50 | 215.385 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 2.32 | -33.17 | 5 | 3 | 1 | 55 | 216.393 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 3.61 | -117.81 | 6 | 3 | 2 | 59 | 217.401 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 3.86 | -220.99 | 7 | 3 | 3 | 61 | 218.409 | 8 | ↓ |
