| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 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) | 2.13 | 7.07 | -101.28 | 3 | 3 | 2 | 36 | 209.337 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 5.37 | -6.13 | 1 | 3 | 0 | 30 | 207.321 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 6.57 | -35.06 | 2 | 3 | 1 | 34 | 208.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 5.88 | -25.34 | 2 | 3 | 1 | 31 | 208.329 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
