| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2006 | 27 | 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) | 3.01 | 11.21 | -15.43 | 1 | 9 | 0 | 119 | 389.437 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 10.94 | -41.3 | 0 | 9 | -1 | 120 | 388.429 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 11.28 | -33.13 | 2 | 9 | 1 | 124 | 390.445 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 6.9 | -24.93 | 1 | 8 | 0 | 92 | 428.514 | 5 | ↓ |
