| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 32 | 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) | 2.81 | 7.89 | -20.35 | 2 | 9 | 0 | 128 | 427.42 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.81 | 8.67 | -57.23 | 1 | 9 | -1 | 131 | 426.412 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.81 | 8.36 | -47.14 | 3 | 9 | 1 | 129 | 428.428 | 5 | ↓ |
