| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2004 | 29 | No |
Popular Name: N-[(E)-(2-ketoindolin-3-ylidene)amino]-4-methyl-3-p-phenetyl-1H-pyrazole-5-carboxamide N-[(E)-(2-ketoindolin-3-ylidene)…
| 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) | 3.44 | 5.45 | -12.62 | 3 | 8 | 0 | 112 | 389.415 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.89 | 3.68 | -44.46 | 2 | 8 | -1 | 115 | 388.407 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.89 | 3.73 | -51.61 | 2 | 8 | -1 | 115 | 388.407 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.89 | 3.46 | -58.21 | 2 | 8 | -1 | 115 | 388.407 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.89 | 3.42 | -55.12 | 2 | 8 | -1 | 115 | 388.407 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 5.48 | -14.82 | 3 | 8 | 0 | 112 | 389.415 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 5.34 | -18.12 | 3 | 8 | 0 | 112 | 389.415 | 5 | ↓ |
