| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 29 | No |
Popular Name: (5S)-4-(2,5-dimethylbenzoyl)-5-(2-furyl)-2-keto-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-4-(2,5-dimethylbenzoyl)-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) | 2.62 | 8.55 | -44.07 | 0 | 6 | -1 | 86 | 387.415 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 0.15 | -20.19 | 0 | 6 | 0 | 80 | 388.423 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | -0.1 | -25.8 | 1 | 6 | 0 | 83 | 388.423 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | 0.43 | -45.09 | 2 | 6 | 1 | 84 | 389.431 | 4 | ↓ |
