| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2006 | 23 | 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) | 1.08 | 0.04 | -11.83 | 4 | 7 | 0 | 117 | 307.313 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | -2.51 | -42.12 | 2 | 7 | -1 | 119 | 306.305 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 0.4 | -56.78 | 5 | 7 | 1 | 118 | 308.321 | 1 | ↓ |
