In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 17 | Yes |
Popular Name: N-isopentyl-N'-methyl-N'-(1-methyl-4-piperidyl)ethane-1,2-diamine N-isopentyl-N'-methyl-N'-(1-meth…
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) | 1.85 | 6 | -85.76 | 3 | 3 | 2 | 24 | 243.439 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.85 | 4.64 | -33.4 | 2 | 3 | 1 | 20 | 242.431 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.85 | 8.46 | -194.15 | 4 | 3 | 3 | 25 | 244.447 | 7 | ↓ |