| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2008 | 24 | No |
Popular Name: N-[(2-oxoindolin-3-ylidene)amino]-5-(2-thienyl)-2H-pyrazole-3-carboxamide N-[(2-oxoindolin-3-ylidene)amino…
| 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 | 3.79 | -29.97 | 4 | 7 | 1 | 101 | 338.372 | 4 | ↓ |
| Ref Reference (pH 7) | 2.41 | 3.82 | -12.29 | 3 | 7 | 0 | 103 | 337.364 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 2.05 | -48.15 | 2 | 7 | -1 | 109 | 336.356 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 1.23 | -54.38 | 2 | 7 | -1 | 109 | 336.356 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 1.11 | -47.36 | 2 | 7 | -1 | 109 | 336.356 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 1.75 | -58.19 | 2 | 7 | -1 | 106 | 336.356 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 1.81 | -54.95 | 2 | 7 | -1 | 106 | 336.356 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 2.02 | -50.79 | 2 | 7 | -1 | 106 | 336.356 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 2.06 | -43.38 | 2 | 7 | -1 | 106 | 336.356 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 2.19 | -57.87 | 2 | 7 | -1 | 109 | 336.356 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 3.64 | -18.07 | 3 | 7 | 0 | 103 | 337.364 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.32 | 0.31 | -11.42 | 3 | 7 | 0 | 107 | 337.364 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.32 | 1.24 | -18.67 | 3 | 7 | 0 | 107 | 337.364 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 3.76 | -14.42 | 3 | 7 | 0 | 103 | 337.364 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 3.82 | -36.13 | 4 | 7 | 1 | 101 | 338.372 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.