| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2009 | 42 | 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) | 3.21 | 2.02 | -169.21 | 0 | 12 | -3 | 166 | 637.782 | 17 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 4.3 | -145.69 | 1 | 12 | -2 | 168 | 638.79 | 17 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 1.93 | -100.58 | 1 | 12 | -2 | 164 | 638.79 | 17 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 3.9 | -75.49 | 4 | 12 | 1 | 161 | 641.814 | 17 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 3.97 | -83.18 | 3 | 12 | 0 | 163 | 640.806 | 17 | ↓ |
