| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2004 | 32 | No |
Popular Name: (5S)-5-(3,4-dichlorophenyl)-2-keto-4-p-anisoyl-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-5-(3,4-dichlorophenyl)-2-ke…
| 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) | 3.88 | 10.43 | -38.82 | 0 | 6 | -1 | 83 | 468.316 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.33 | 8.93 | -29.35 | 1 | 6 | 0 | 80 | 469.324 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 9.97 | -21.14 | 0 | 6 | 0 | 77 | 469.324 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.33 | 9.21 | -66.13 | 2 | 6 | 1 | 81 | 470.332 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.30 | 10.25 | -66.79 | 1 | 6 | 1 | 78 | 470.332 | 6 | ↓ |
