| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 35 | 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) | 4.51 | 14.89 | -75.22 | 1 | 6 | 0 | 74 | 468.553 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.51 | 12.35 | -57.26 | 0 | 6 | -1 | 73 | 467.545 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.51 | 13.78 | -59.76 | 2 | 6 | 1 | 71 | 469.561 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 14.76 | -63.95 | 1 | 6 | 1 | 68 | 469.561 | 9 | ↓ |
