In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2009 | 16 | Yes |
Popular Name: (3-hydroxy-2-pyridyl)-(4-methyl-1-piperidyl)methanone (3-hydroxy-2-pyridyl)-(4-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) | 1.47 | 4.63 | -10.08 | 1 | 4 | 0 | 53 | 220.272 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 3.66 | -28.63 | 1 | 4 | 0 | 58 | 220.272 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.47 | 5.64 | -52.77 | 0 | 4 | -1 | 56 | 219.264 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.47 | 2.89 | -36.07 | 2 | 4 | 1 | 55 | 221.28 | 1 | ↓ |