| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2010 | 29 | No |
None
| 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) | 2.12 | 1.93 | -50.62 | 1 | 8 | -1 | 136 | 428.471 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 2.86 | -103.84 | 0 | 8 | -2 | 139 | 427.463 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 3.62 | -21.16 | 2 | 8 | 0 | 129 | 429.479 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.