| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 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) | 2.58 | 5.73 | -61.24 | 1 | 7 | -1 | 93 | 435.5 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 8 | -72.23 | 2 | 7 | 0 | 94 | 436.508 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 7.12 | -49.5 | 3 | 7 | 1 | 92 | 437.516 | 6 | ↓ |
