| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2013 | 33 | No |
| 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) | -5.58 | -18.75 | -322.9 | 18 | 15 | 4 | 278 | 488.535 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.58 | -19.37 | -116.99 | 16 | 15 | 2 | 275 | 486.519 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.58 | -18.91 | -134.52 | 16 | 15 | 2 | 275 | 486.519 | 6 | ↓ |
| Mid Mid (pH 6-8) | -5.58 | -18.58 | -188.19 | 17 | 15 | 3 | 276 | 487.527 | 6 | ↓ |
| Mid Mid (pH 6-8) | -5.58 | -18.31 | -238.78 | 17 | 15 | 3 | 276 | 487.527 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.