| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 27 | 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) | 1.02 | -0.1 | -64.81 | 6 | 8 | 1 | 128 | 375.401 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | -0.51 | -60.13 | 4 | 8 | -1 | 126 | 373.385 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | -1.52 | -17.98 | 5 | 8 | 0 | 123 | 374.393 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
