| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 21 | 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) | 0.00 | 5.28 | -42.73 | 3 | 4 | 1 | 49 | 285.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 5.23 | -6.22 | 2 | 4 | 0 | 47 | 284.407 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.00 | 7.5 | -41.29 | 3 | 4 | 1 | 48 | 285.415 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.00 | 7.43 | -129.24 | 4 | 4 | 2 | 50 | 286.423 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
