| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 15 | 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) | 1.78 | 5.43 | -96.25 | 4 | 3 | 2 | 47 | 209.337 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 5 | -42.17 | 3 | 3 | 1 | 45 | 208.329 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 5.18 | -42.16 | 3 | 3 | 1 | 45 | 208.329 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.78 | 5.46 | -96.56 | 4 | 3 | 2 | 47 | 209.337 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
