| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 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) | 2.37 | 9.77 | -52.66 | 0 | 8 | -1 | 111 | 520.562 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.81 | -5.32 | -36.41 | 1 | 8 | 0 | 107 | 521.57 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | -5.02 | -32.73 | 0 | 8 | 0 | 104 | 521.57 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.81 | -5.2 | -62.76 | 2 | 8 | 1 | 109 | 522.578 | 6 | ↓ |
