In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 26 | Yes |
Popular Name: 1-[3-[benzyl(methyl)amino]propyl]-3-[3-(dimethylaminomethyl)phenyl]urea 1-[3-[benzyl(methyl)amino]propyl…
None
None
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) | 2.92 | 10.4 | -86.85 | 4 | 5 | 2 | 50 | 356.514 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 7.93 | -46.91 | 3 | 5 | 1 | 49 | 355.506 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 8.08 | -37.6 | 3 | 5 | 1 | 49 | 355.506 | 9 | ↓ |