In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 30th, 2011 | 19 | Yes |
Popular Name: N-[(1R)-1-(3-methyl-2-pyridyl)-2-tetrahydropyran-4-yl-ethyl]propan-1-amine N-[(1R)-1-(3-methyl-2-pyridyl)-2…
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) | 3.38 | 6.5 | -37.05 | 2 | 3 | 1 | 39 | 263.405 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.38 | 7.14 | -4.28 | 1 | 3 | 0 | 34 | 262.397 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.38 | 7.64 | -31.97 | 2 | 3 | 1 | 35 | 263.405 | 6 | ↓ |