| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 20th, 2006 | 22 | No |
Popular Name: N-[(2-hydroxy-1H-indol-3-yl)imino]-5-isopropyl-2H-pyrazole-3-carboxamide N-[(2-hydroxy-1H-indol-3-yl)imin…
| 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) | 2.23 | 2.98 | -11.31 | 3 | 7 | 0 | 103 | 297.318 | 3 | ↓ |
| Ref Reference (pH 7) | 2.23 | 2.86 | -16.54 | 3 | 7 | 0 | 103 | 297.318 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 1.01 | -57.74 | 2 | 7 | -1 | 106 | 296.31 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 0.96 | -53.88 | 2 | 7 | -1 | 106 | 296.31 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 1.21 | -43.08 | 2 | 7 | -1 | 106 | 296.31 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 1.27 | -51.24 | 2 | 7 | -1 | 106 | 296.31 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 1.35 | -47.33 | 2 | 7 | -1 | 109 | 296.31 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 1.44 | -58.38 | 2 | 7 | -1 | 109 | 296.31 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 2.9 | -17.4 | 3 | 7 | 0 | 103 | 297.318 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 2.98 | -33.45 | 4 | 7 | 1 | 101 | 298.326 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 3.03 | -14.16 | 3 | 7 | 0 | 103 | 297.318 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.14 | 0.64 | -20.07 | 3 | 7 | 0 | 107 | 297.318 | 3 | ↓ |
