| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 16 | No |
| 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) | 1.12 | 4.15 | -48.71 | 3 | 5 | 1 | 74 | 222.268 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 2.8 | -7.26 | 2 | 5 | 0 | 70 | 221.26 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 3.92 | -49.74 | 3 | 5 | 1 | 74 | 222.268 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.12 | 5.27 | -136.49 | 4 | 5 | 2 | 79 | 223.276 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
