| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | Yes |
Popular Name: 3-hydroxy-N-isopentyl-N-methyl-pyridine-2-carboxamide 3-hydroxy-N-isopentyl-N-methyl-p…
| 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 | 5.17 | -10.16 | 1 | 4 | 0 | 53 | 222.288 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 4.1 | -29.77 | 1 | 4 | 0 | 58 | 222.288 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 6.17 | -53.01 | 0 | 4 | -1 | 56 | 221.28 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.98 | 3.31 | -9.74 | 2 | 4 | 0 | 55 | 223.296 | 4 | ↓ |
