| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2005 | 28 | Yes |
| 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) | 4.87 | 11.47 | -114.96 | 0 | 4 | -2 | 80 | 445.353 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.29 | 11.55 | -36.27 | 0 | 4 | -1 | 74 | 446.361 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.87 | 10.01 | -37.57 | 1 | 4 | -1 | 77 | 446.361 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.87 | 11.23 | -39.36 | 1 | 4 | -1 | 77 | 446.361 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.29 | 12.84 | -37.27 | 0 | 4 | -1 | 74 | 446.361 | 3 | ↓ |
