| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 30 | 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) | 2.49 | 9.02 | -36.64 | 0 | 7 | -1 | 99 | 423.449 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.94 | 7.62 | -27.74 | 1 | 7 | 0 | 96 | 424.457 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 8.62 | -19.45 | 0 | 7 | 0 | 93 | 424.457 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.94 | 7.91 | -58.15 | 2 | 7 | 1 | 98 | 425.465 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 8.9 | -46.85 | 1 | 7 | 1 | 94 | 425.465 | 5 | ↓ |
