| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 4th, 2008 | 24 | No |
Popular Name: 4-{[(2-furylmethyl)imino]methyl}-2-{4-nitrophenyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one 4-{[(2-furylmethyl)imino]methyl}…
| 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) | 1.71 | 7.88 | -50.58 | 2 | 8 | 1 | 111 | 327.32 | 5 | ↓ |
| Ref Reference (pH 7) | 1.65 | 7.75 | -20.61 | 1 | 8 | 0 | 106 | 326.312 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 6.44 | -23.41 | 1 | 8 | 0 | 109 | 326.312 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 6.87 | -24.75 | 1 | 8 | 0 | 109 | 326.312 | 5 | ↓ |
