| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2009 | 31 | 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) | 2.28 | 11.2 | -79.47 | 2 | 10 | 1 | 113 | 442.525 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.35 | 7.82 | -47.01 | 0 | 10 | -1 | 118 | 440.509 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 8.73 | -31.97 | 1 | 10 | 0 | 112 | 441.517 | 5 | ↓ |
