| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2008 | 27 | No |
None
| 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) | 3.47 | 8.25 | -26.37 | 1 | 5 | 0 | 61 | 384.501 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 5.94 | -43.75 | 0 | 5 | -1 | 60 | 383.493 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 7.46 | -42.43 | 2 | 5 | 1 | 58 | 385.509 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 8.24 | -52.68 | 1 | 5 | 0 | 61 | 384.501 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 5.06 | -7.68 | 1 | 5 | 0 | 57 | 384.501 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.47 | 7.47 | -41.13 | 2 | 5 | 1 | 58 | 385.509 | 4 | ↓ |
