In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 22 | Yes |
Popular Name: 1-[3-(diethylamino)propyl]-3-[3-(dimethylaminomethyl)phenyl]urea 1-[3-(diethylamino)propyl]-3-[3-…
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) | 2.28 | 8.15 | -86.92 | 4 | 5 | 2 | 50 | 308.47 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.28 | 5.72 | -41.82 | 3 | 5 | 1 | 49 | 307.462 | 9 | ↓ |