In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 20 | Yes |
Popular Name: 3-[4,6-dimethyl-2-(2-pyridylmethyl)pyrimidin-5-yl]-N-methyl-propan-1-amine 3-[4,6-dimethyl-2-(2-pyridylmeth…
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) | 1.98 | 6.73 | -49.14 | 2 | 4 | 1 | 55 | 271.388 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.98 | 7.13 | -82.55 | 3 | 4 | 2 | 57 | 272.396 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.