In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 21 | Yes |
Popular Name: 1-[3-(dimethylaminomethyl)phenyl]-3-[(1S,3R)-3-methylcyclohexyl]urea 1-[3-(dimethylaminomethyl)phenyl…
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) | 3.14 | 8.1 | -44.24 | 3 | 4 | 1 | 46 | 290.431 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.14 | 5.63 | -8.23 | 2 | 4 | 0 | 44 | 289.423 | 4 | ↓ |