| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2007 | 28 | No |
Popular Name: 2,5-diphenyl-4-[1-(3-pyridylmethylamino)ethylidene]pyrazol-3-one 2,5-diphenyl-4-[1-(3-pyridylmeth…
| 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) | 3.09 | 10.11 | -20.48 | 1 | 5 | 0 | 60 | 368.44 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.57 | -1.12 | -40.28 | 1 | 5 | 1 | 59 | 369.448 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.57 | -1.01 | -94.79 | 2 | 5 | 2 | 60 | 370.456 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.09 | 10.84 | -59.46 | 2 | 5 | 1 | 61 | 369.448 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.09 | 10.57 | -50.77 | 2 | 5 | 1 | 61 | 369.448 | 5 | ↓ |
