| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 35 | No |
Popular Name: (5S)-1-homoveratryl-2-keto-4-m-anisoyl-5-(3-pyridyl)-3-pyrrolin-3-olate (5S)-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 | 8.38 | -46.03 | 0 | 8 | -1 | 101 | 473.505 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | -0.14 | -33.98 | 1 | 8 | 0 | 98 | 474.513 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 0.08 | -29.49 | 0 | 8 | 0 | 95 | 474.513 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | 0.19 | -64.72 | 1 | 8 | 1 | 96 | 475.521 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | -0.02 | -69.59 | 2 | 8 | 1 | 99 | 475.521 | 8 | ↓ |
