| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2004 | 32 | No |
Popular Name: (5S)-1-homoveratryl-3-hydroxy-5-(3-pyridyl)-4-(2-thenoyl)-3-pyrrolin-2-one (5S)-1-homoveratryl-3-hydroxy-5-…
| 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) | 2.49 | 8.12 | -19.59 | 1 | 7 | 0 | 89 | 450.516 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 8.78 | -27.19 | 0 | 7 | 0 | 86 | 450.516 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.94 | 8.09 | -67.99 | 2 | 7 | 1 | 90 | 451.524 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 9.06 | -60.09 | 1 | 7 | 1 | 87 | 451.524 | 8 | ↓ |
