| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2004 | 23 | No |
Popular Name: 3-tert-butyl-N-[(E)-(2-ketoindolin-3-ylidene)amino]-1H-pyrazole-5-carboxamide 3-tert-butyl-N-[(E)-(2-ketoindol…
| 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) | 2.90 | 3.45 | -16.49 | 3 | 7 | 0 | 103 | 311.345 | 3 | ↓ |
| Ref Reference (pH 7) | 2.90 | 3.57 | -11.27 | 3 | 7 | 0 | 103 | 311.345 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 1.52 | -57.59 | 2 | 7 | -1 | 106 | 310.337 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 1.78 | -51.02 | 2 | 7 | -1 | 106 | 310.337 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 1.8 | -43.25 | 2 | 7 | -1 | 106 | 310.337 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 1.55 | -53.96 | 2 | 7 | -1 | 106 | 310.337 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 3.41 | -17.22 | 3 | 7 | 0 | 103 | 311.345 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 3.54 | -14 | 3 | 7 | 0 | 103 | 311.345 | 3 | ↓ |
