| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2010 | 17 | Yes |
Popular Name: N-isopropyl-N'-[3-(4-methylpiperazin-1-yl)propyl]ethane-1,2-diamine N-isopropyl-N'-[3-(4-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) | 0.40 | 4.36 | -172.04 | 5 | 4 | 3 | 41 | 245.435 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 0.78 | -39.6 | 3 | 4 | 1 | 35 | 243.419 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 0.65 | -35.44 | 3 | 4 | 1 | 35 | 243.419 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 2.91 | -82.65 | 4 | 4 | 2 | 36 | 244.427 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 1.98 | -115.69 | 4 | 4 | 2 | 40 | 244.427 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 3.03 | -76.48 | 4 | 4 | 2 | 36 | 244.427 | 8 | ↓ |
