| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 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) | 3.71 | 10.28 | -67.51 | 1 | 7 | -1 | 103 | 491.523 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | -2.16 | -15.95 | 1 | 7 | 0 | 96 | 492.531 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.16 | 9.03 | -17.63 | 2 | 7 | 0 | 100 | 492.531 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | -2.05 | -42.85 | 2 | 7 | 1 | 98 | 493.539 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.16 | 9.31 | -42.39 | 3 | 7 | 1 | 101 | 493.539 | 7 | ↓ |
