| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 26 | 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) | 1.14 | 6.29 | -45.96 | 2 | 6 | 1 | 57 | 365.473 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 3.9 | -15.18 | 1 | 6 | 0 | 56 | 364.465 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 8.48 | -100.52 | 3 | 6 | 2 | 58 | 366.481 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
