In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 1st, 2008 | 26 | Yes |
Popular Name: 1-phenyl-N-(4-pyridylmethyl)-N-(2-quinolylmethyl)methanamine 1-phenyl-N-(4-pyridylmethyl)-N-(…
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) | 3.33 | 10.05 | -10.72 | 0 | 3 | 0 | 29 | 339.442 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 10.69 | -31.72 | 1 | 3 | 1 | 30 | 340.45 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.33 | 12.53 | -103.02 | 2 | 3 | 2 | 31 | 341.458 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.33 | 12.51 | -114.66 | 2 | 3 | 2 | 31 | 341.458 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.33 | 12.79 | -199.84 | 3 | 3 | 3 | 33 | 342.466 | 6 | ↓ |