| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 29 | No |
Popular Name: 3-(4-isobutylphenyl)-N-[(Z)-(2-ketoindolin-3-ylidene)amino]-1H-pyrazole-5-carboxamide 3-(4-isobutylphenyl)-N-[(Z)-(2-k…
| 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) | 3.93 | 7.25 | -17.25 | 3 | 7 | 0 | 103 | 387.443 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.39 | 5.55 | -50.68 | 2 | 7 | -1 | 106 | 386.435 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.39 | 5.35 | -54.33 | 2 | 7 | -1 | 106 | 386.435 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.39 | 5.29 | -57.47 | 2 | 7 | -1 | 106 | 386.435 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 7.17 | -17.44 | 3 | 7 | 0 | 103 | 387.443 | 5 | ↓ |
