| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2011 | 33 | Yes |
None
| 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) | 3.69 | 14.21 | -106.28 | 3 | 6 | 2 | 71 | 457.965 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.69 | 13.1 | -40.89 | 2 | 6 | 1 | 66 | 456.957 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.69 | 12.59 | -16.17 | 1 | 6 | 0 | 65 | 455.949 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.69 | 13.7 | -58.63 | 2 | 6 | 1 | 69 | 456.957 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
