| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2006 | 28 | 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) | 0.85 | 3.73 | -61.57 | 1 | 7 | -1 | 103 | 381.408 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 3.38 | -15.63 | 2 | 7 | 0 | 100 | 382.416 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.26 | 4.71 | -19.67 | 1 | 7 | 0 | 97 | 382.416 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.29 | 3.68 | -56.53 | 3 | 7 | 1 | 101 | 383.424 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.26 | 5 | -60.32 | 2 | 7 | 1 | 98 | 383.424 | 8 | ↓ |
