In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2010 | 19 | Yes |
Popular Name: N'-(3,3-dimethylbutyl)-N-(1-ethyl-4-piperidyl)-N-methyl-ethane-1,2-diamine N'-(3,3-dimethylbutyl)-N-(1-ethy…
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) | 2.55 | 7.03 | -86.49 | 3 | 3 | 2 | 24 | 271.493 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 5.68 | -31.98 | 2 | 3 | 1 | 20 | 270.485 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | 9.5 | -197.07 | 4 | 3 | 3 | 25 | 272.501 | 8 | ↓ |