| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 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) | 1.01 | 5.68 | -39.05 | 2 | 2 | 1 | 29 | 191.298 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.01 | 4.5 | -3.71 | 1 | 2 | 0 | 25 | 190.29 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 6.1 | -99.6 | 3 | 2 | 2 | 31 | 192.306 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
