In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 20th, 2006 | 29 | No |
Popular Name: 5-(2,5-dimethoxyphenyl)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2H-pyrazole-3-carboxamide 5-(2,5-dimethoxyphenyl)-N-[(2-hy…
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) | 2.67 | 3.42 | -20.59 | 3 | 9 | 0 | 121 | 391.387 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 1.83 | -61.96 | 2 | 9 | -1 | 128 | 390.379 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.13 | 1.52 | -58.33 | 2 | 9 | -1 | 125 | 390.379 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.13 | 1.39 | -59.96 | 2 | 9 | -1 | 125 | 390.379 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 1.91 | -52.9 | 2 | 9 | -1 | 128 | 390.379 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 1.02 | -22.41 | 3 | 9 | 0 | 125 | 391.387 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.67 | 3.27 | -19.28 | 3 | 9 | 0 | 121 | 391.387 | 5 | ↓ |