| 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) | 0.43 | 7.59 | -31.05 | 3 | 5 | 0 | 85 | 311.263 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 6.41 | -48.88 | 2 | 5 | -1 | 81 | 310.255 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 6.42 | -46 | 2 | 5 | -1 | 81 | 310.255 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 7.59 | -35.63 | 3 | 5 | 0 | 85 | 311.263 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.43 | 8.05 | -77.84 | 4 | 5 | 1 | 87 | 312.271 | 3 | ↓ |
