| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 32 | 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) | 2.57 | 10.71 | -77.04 | 1 | 7 | 0 | 87 | 437.54 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 9.69 | -43.32 | 2 | 7 | 1 | 84 | 438.548 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 0.64 | -46.34 | 1 | 7 | 1 | 81 | 438.548 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.01 | 9.99 | -113.4 | 3 | 7 | 2 | 85 | 439.556 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.99 | 0.75 | -108.85 | 2 | 7 | 2 | 82 | 439.556 | 10 | ↓ |
