| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 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) | 1.24 | 3.32 | -61.53 | 5 | 6 | 1 | 98 | 385.465 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 4.05 | -53.38 | 4 | 6 | 0 | 100 | 384.457 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 2.93 | -12.64 | 4 | 6 | 0 | 96 | 384.457 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
