| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 17 | 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) | 1.71 | 2.56 | -42.56 | 0 | 5 | -1 | 74 | 313.156 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.89 | 3.05 | -13.02 | 1 | 5 | 0 | 75 | 314.164 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.71 | 3.02 | -46.97 | 1 | 5 | 0 | 75 | 314.164 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.89 | 3.51 | -39.68 | 2 | 5 | 1 | 76 | 315.172 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
