| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 27 | 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) | 3.18 | 7.57 | -100.5 | 3 | 6 | 2 | 66 | 371.481 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 3.67 | -11.91 | 1 | 6 | 0 | 60 | 369.465 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 6.04 | -40.93 | 2 | 6 | 1 | 61 | 370.473 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
