| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 33 | 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) | 3.21 | 5.5 | -16.3 | 3 | 8 | 0 | 112 | 507.344 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 4.7 | -48.95 | 1 | 8 | -1 | 110 | 506.336 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 6.27 | -53.54 | 2 | 8 | -1 | 114 | 506.336 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.01 | 4.25 | -52.68 | 3 | 8 | 1 | 109 | 508.352 | 5 | ↓ |
