| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 35 | 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) | 4.54 | 10.09 | -12.7 | 2 | 7 | 0 | 91 | 468.557 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 10.85 | -52.24 | 1 | 7 | -1 | 94 | 467.549 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.54 | 10.54 | -44.21 | 3 | 7 | 1 | 93 | 469.565 | 8 | ↓ |
