| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2010 | 17 | Yes |
Popular Name: N-isopropyl-N'-[3-(2-methylpiperidin-1-yl)propyl]ethane-1,2-diamine N-isopropyl-N'-[3-(2-methylpiper…
| 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 | 5.95 | -79.75 | 4 | 3 | 2 | 33 | 243.439 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 3.98 | -38.25 | 3 | 3 | 1 | 32 | 242.431 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 2.63 | -1.14 | 2 | 3 | 0 | 27 | 241.423 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 5.18 | -114.51 | 4 | 3 | 2 | 36 | 243.439 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.74 | 7.3 | -193.61 | 5 | 3 | 3 | 38 | 244.447 | 8 | ↓ |
