| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 14th, 2010 | 34 | 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) | -3.83 | -0.38 | -173.08 | 5 | 14 | -3 | 225 | 472.438 | 9 | ↓ |
| Mid Mid (pH 6-8) | -4.14 | 0.78 | -167.76 | 5 | 14 | -3 | 219 | 472.438 | 9 | ↓ |
| Lo Low (pH 4.5-6) | -4.14 | -1.24 | -76.69 | 7 | 14 | -1 | 218 | 474.454 | 9 | ↓ |
| Lo Low (pH 4.5-6) | -4.14 | 2.03 | -164.36 | 7 | 14 | -1 | 226 | 474.454 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.