| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2006 | 17 | No |
None
| 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) | 3.95 | 5.1 | -5.42 | 1 | 2 | 0 | 33 | 229.254 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.95 | 7.12 | -44.15 | 0 | 2 | -1 | 35 | 228.246 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.95 | 5.87 | -37.1 | 0 | 2 | -1 | 35 | 228.246 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.95 | 6.8 | -32.86 | 2 | 2 | 1 | 34 | 230.262 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.95 | 5.48 | -34.26 | 2 | 2 | 1 | 34 | 230.262 | 2 | ↓ |
