| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 36 | 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) | -5.41 | -18.81 | -175.28 | 16 | 16 | 3 | 280 | 530.548 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.41 | -20.34 | -21.26 | 13 | 16 | 0 | 272 | 527.524 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.41 | -19.02 | -46.15 | 14 | 16 | 1 | 277 | 528.532 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.41 | -19.92 | -65.73 | 14 | 16 | 1 | 274 | 528.532 | 6 | ↓ |
| Mid Mid (pH 6-8) | -5.41 | -18.7 | -121.96 | 15 | 16 | 2 | 278 | 529.54 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.