| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 22 | 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) | 0.45 | 7.6 | -31.7 | 3 | 5 | 0 | 85 | 311.263 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.45 | 6.41 | -49.91 | 2 | 5 | -1 | 81 | 310.255 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.45 | 6.43 | -45.43 | 2 | 5 | -1 | 81 | 310.255 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | 7.6 | -37.95 | 3 | 5 | 0 | 85 | 311.263 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.45 | 8.06 | -80.98 | 4 | 5 | 1 | 87 | 312.271 | 3 | ↓ |
