| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 22 | 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) | 2.85 | 7.68 | -77.62 | 4 | 4 | 2 | 48 | 294.402 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 4.94 | -12.16 | 2 | 4 | 0 | 45 | 292.386 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.85 | 5.32 | -23.95 | 3 | 4 | 1 | 47 | 293.394 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
