| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 21 | 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) | -0.02 | -0.82 | -48.12 | 4 | 6 | 1 | 97 | 318.463 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.02 | 0.1 | -15.53 | 3 | 6 | 0 | 93 | 317.455 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.02 | 1.29 | -58.75 | 4 | 6 | 1 | 94 | 318.463 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
