| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 23 | 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) | -1.42 | 0.42 | -9.4 | 0 | 7 | 0 | 71 | 317.393 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.42 | 2.79 | -48.91 | 1 | 7 | 0 | 72 | 318.401 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.42 | 1.41 | -13.12 | 0 | 7 | 0 | 71 | 317.393 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.42 | 3.79 | -58.3 | 1 | 7 | 0 | 72 | 318.401 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
