| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 29 | 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) | 1.53 | 6.58 | -20.04 | 2 | 8 | 0 | 101 | 436.538 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 7.72 | -43.39 | 3 | 8 | 1 | 103 | 437.546 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 6.9 | -19.54 | 2 | 8 | 0 | 101 | 436.538 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 4.28 | -26.41 | 2 | 8 | 0 | 105 | 436.538 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 5.3 | -43.48 | 3 | 8 | 1 | 106 | 437.546 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 5.61 | -43.39 | 3 | 8 | 1 | 106 | 437.546 | 7 | ↓ |
