| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2007 | 33 | No |
Popular Name: 3-hydroxy-1-(m-tolyl)-5-(3-nitrophenyl)-4-(3-phenylprop-2-enoyl)-5H-pyrrol-2-one 3-hydroxy-1-(m-tolyl)-5-(3-nitro…
| 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) | 4.81 | 13.75 | -41.23 | 0 | 7 | -1 | 106 | 439.447 | 5 | ↓ |
| Ref Reference (pH 7) | 4.81 | 13.8 | -53.95 | 0 | 7 | -1 | 106 | 439.447 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.22 | 2.06 | -19.29 | 0 | 7 | 0 | 100 | 440.455 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.81 | 13.08 | -18.5 | 1 | 7 | 0 | 103 | 440.455 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.81 | 12.91 | -12.29 | 1 | 7 | 0 | 103 | 440.455 | 6 | ↓ |
