| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2004 | 30 | No |
Popular Name: (5S)-5-(4-bromophenyl)-2-keto-4-p-toluoyl-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-5-(4-bromophenyl)-2-keto-4-…
| 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) | 3.80 | 10.67 | -38.13 | 0 | 5 | -1 | 73 | 462.323 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.24 | 9.12 | -26.06 | 1 | 5 | 0 | 71 | 463.331 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 10.09 | -23.71 | 0 | 5 | 0 | 67 | 463.331 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.24 | 9.42 | -52.19 | 2 | 5 | 1 | 72 | 464.339 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 10.4 | -53.21 | 1 | 5 | 1 | 69 | 464.339 | 5 | ↓ |
