| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2011 | 12 | 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) | -4.14 | -8.11 | -39.31 | 6 | 6 | 0 | 128 | 177.156 | 0 | ↓ |
| Hi High (pH 8-9.5) | -4.14 | -9.21 | -9.01 | 6 | 6 | 0 | 124 | 177.156 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -4.14 | -8.83 | -47.01 | 7 | 6 | 1 | 126 | 178.164 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
