| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 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) | 3.39 | 9.6 | -53.98 | 0 | 10 | -1 | 128 | 508.551 | 11 | ↓ |
| Mid Mid (pH 6-8) | 2.81 | 11.68 | -58.58 | 1 | 10 | 1 | 123 | 510.567 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.84 | 10.73 | -53.08 | 2 | 10 | 1 | 126 | 510.567 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.39 | 11.93 | -76.48 | 1 | 10 | 0 | 129 | 509.559 | 11 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 2.41 | -4.99 | 0 | 5 | 0 | 38 | 306.406 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 4.68 | -37.54 | 1 | 5 | 1 | 39 | 307.414 | 3 | ↓ |
