| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 14 | 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) | 1.00 | 3.99 | -42.96 | 2 | 3 | 1 | 33 | 192.286 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 2.75 | -4.91 | 1 | 3 | 0 | 28 | 191.278 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 4.41 | -85.46 | 3 | 3 | 2 | 34 | 193.294 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
