In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 19 | Yes |
Popular Name: 2-methyl-N-[[2-(2-pyridylmethyl)pyrimidin-4-yl]methyl]propan-1-amine 2-methyl-N-[[2-(2-pyridylmethyl)…
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) | 1.83 | 6.44 | -44.63 | 2 | 4 | 1 | 55 | 257.361 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 5.07 | -7.75 | 1 | 4 | 0 | 51 | 256.353 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.83 | 6.84 | -87.48 | 3 | 4 | 2 | 57 | 258.369 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.