| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 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) | -1.03 | 0.16 | -58.3 | 6 | 7 | 1 | 125 | 253.311 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.03 | -0.62 | -42.49 | 4 | 7 | -1 | 122 | 251.295 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.03 | -0.12 | -16.6 | 5 | 7 | 0 | 124 | 252.303 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.03 | -0.28 | -66.73 | 5 | 7 | 0 | 124 | 252.303 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
