| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2004 | 24 | No |
Popular Name: (4-fluorophenyl)-[(5E)-4-keto-5-(2-ketoindolin-3-ylidene)-2-thiazolin-2-yl]azanide (4-fluorophenyl)-[(5E)-4-keto-5-…
| 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) | 4.57 | 7.29 | -12.45 | 2 | 5 | 0 | 78 | 339.351 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.49 | 4.43 | -117.43 | 0 | 5 | -2 | 84 | 337.335 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.49 | 3.73 | -118.93 | 0 | 5 | -2 | 84 | 337.335 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.08 | 7.61 | -22.61 | 2 | 5 | 0 | 75 | 339.351 | 2 | ↓ |
| Mid Mid (pH 6-8) | 5.03 | 5.91 | -49.99 | 1 | 5 | -1 | 81 | 338.343 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.03 | 6.2 | -50.26 | 1 | 5 | -1 | 81 | 338.343 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.03 | 5.48 | -50.29 | 1 | 5 | -1 | 81 | 338.343 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.03 | 5.51 | -51.61 | 1 | 5 | -1 | 81 | 338.343 | 1 | ↓ |
