In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2011 | 17 | Yes |
Popular Name: 3-[[3-(ethylamino)propyl-methyl-amino]methyl]benzonitrile 3-[[3-(ethylamino)propyl-methyl-…
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) | 1.55 | 5.95 | -41.02 | 2 | 3 | 1 | 44 | 232.351 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.55 | 8.29 | -113.71 | 3 | 3 | 2 | 45 | 233.359 | 7 | ↓ |