| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 17 | Yes |
Popular Name: 3-hydroxy-N-methyl-N-[(1S)-1,2,2-trimethylpropyl]pyridine-2-carboxamide 3-hydroxy-N-methyl-N-[(1S)-1,2,2…
| 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) | 2.36 | 5.65 | -9.85 | 1 | 4 | 0 | 53 | 236.315 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 4.5 | -26.39 | 1 | 4 | 0 | 58 | 236.315 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 6.66 | -54.21 | 0 | 4 | -1 | 56 | 235.307 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.36 | 3.73 | -7.81 | 2 | 4 | 0 | 55 | 237.323 | 3 | ↓ |
