| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 28 | No |
Popular Name: (5R)-1-benzyl-2-keto-4-(5-methyl-2-furoyl)-5-(3-pyridyl)-3-pyrrolin-3-olate (5R)-1-benzyl-2-keto-4-(5-methyl…
| 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) | 2.02 | 8.81 | -62.72 | 0 | 6 | -1 | 86 | 373.388 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 0 | -21.67 | 0 | 6 | 0 | 80 | 374.396 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | -0.19 | -32.2 | 1 | 6 | 0 | 83 | 374.396 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.44 | 0.11 | -54.72 | 1 | 6 | 1 | 81 | 375.404 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | -0.08 | -66.86 | 2 | 6 | 1 | 84 | 375.404 | 4 | ↓ |
