| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 14 | 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) | 1.28 | 2.76 | -36.61 | 3 | 2 | 1 | 31 | 211.354 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 2.58 | -1.25 | 2 | 2 | 0 | 29 | 210.346 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 4.73 | -28.33 | 3 | 2 | 1 | 30 | 211.354 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 5.04 | -108.18 | 4 | 2 | 2 | 32 | 212.362 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
