| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 11th, 2010 | 31 | 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) | 1.24 | 0.88 | -47.26 | 5 | 10 | 1 | 115 | 459.499 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 3.66 | -51.54 | 5 | 10 | 1 | 117 | 459.499 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 1.5 | -21.49 | 4 | 10 | 0 | 116 | 458.491 | 8 | ↓ |
| Mid Mid (pH 6-8) | -3.20 | -0.11 | -50.06 | 5 | 10 | 1 | 115 | 459.499 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.24 | 3.08 | -126.69 | 6 | 10 | 2 | 116 | 460.507 | 9 | ↓ |
| Lo Low (pH 4.5-6) | -3.20 | 0.21 | -133.24 | 6 | 10 | 2 | 117 | 460.507 | 8 | ↓ |
