In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 14th, 2009 | 27 | Yes |
Popular Name: N',N'-dimethyl-N-[2-(6-methyl-2-naphthyl)-4-quinolyl]ethane-1,2-diamine N',N'-dimethyl-N-[2-(6-methyl-2-…
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) | 5.56 | 12.85 | -91.53 | 3 | 3 | 2 | 31 | 357.501 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.56 | 10.32 | -27.53 | 2 | 3 | 1 | 29 | 356.493 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.56 | 12.55 | -53.76 | 2 | 3 | 1 | 29 | 356.493 | 5 | ↓ |