| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 37 | 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) | 3.00 | 6.8 | -62.02 | 0 | 9 | -1 | 101 | 509.579 | 11 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 8.53 | -50.58 | 1 | 9 | 1 | 96 | 511.595 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 8.41 | -49.48 | 2 | 9 | 1 | 99 | 511.595 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 9.13 | -77.46 | 1 | 9 | 0 | 102 | 510.587 | 11 | ↓ |
