| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2014 | 38 | Yes |
| 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) | -4.69 | -16.42 | -53.11 | 10 | 15 | -1 | 273 | 880.141 | 14 | ↓ |
| Ref Reference (pH 7) | -4.69 | -14.79 | -52.22 | 10 | 15 | -1 | 273 | 880.141 | 14 | ↓ |
| Hi High (pH 8-9.5) | -4.78 | -12.86 | -55.57 | 10 | 15 | -1 | 269 | 880.141 | 14 | ↓ |
| Hi High (pH 8-9.5) | -4.69 | -13.97 | -124.09 | 9 | 15 | -2 | 275 | 879.133 | 14 | ↓ |
| Hi High (pH 8-9.5) | -4.69 | -15.92 | -125.14 | 9 | 15 | -2 | 275 | 879.133 | 14 | ↓ |
| Hi High (pH 8-9.5) | -4.78 | -14.88 | -56.61 | 10 | 15 | -1 | 269 | 880.141 | 14 | ↓ |
| Mid Mid (pH 6-8) | -4.78 | -13.68 | -19.7 | 11 | 15 | 0 | 266 | 881.149 | 14 | ↓ |
| Mid Mid (pH 6-8) | -4.78 | -15.37 | -20.26 | 11 | 15 | 0 | 266 | 881.149 | 14 | ↓ |
No pre-computed analogs available. Try a structural similarity search.