| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 35 | No |
Popular Name: (5R)-1-homoveratryl-2-keto-4-m-anisoyl-5-(3-pyridyl)-3-pyrrolin-3-olate (5R)-1-homoveratryl-2-keto-4-m-a…
| 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) | 2.63 | 9.08 | -39.07 | 0 | 8 | -1 | 101 | 473.505 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | -0.51 | -32.67 | 1 | 8 | 0 | 98 | 474.513 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | -0.22 | -30.13 | 0 | 8 | 0 | 95 | 474.513 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | -0.11 | -65.05 | 1 | 8 | 1 | 96 | 475.521 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | -0.4 | -70.74 | 2 | 8 | 1 | 99 | 475.521 | 8 | ↓ |
