| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 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) | 0.31 | 5.51 | -97.03 | 4 | 3 | 2 | 35 | 213.369 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 3.28 | -32.93 | 3 | 3 | 1 | 34 | 212.361 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 3.05 | -32.18 | 3 | 3 | 1 | 34 | 212.361 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.31 | 5.83 | -187.7 | 5 | 3 | 3 | 37 | 214.377 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
