| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 33 | 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) | 1.50 | 6.21 | -70.31 | 0 | 8 | -1 | 95 | 454.478 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 8.43 | -59.77 | 1 | 8 | 1 | 90 | 456.494 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 7.24 | -59.38 | 2 | 8 | 1 | 93 | 456.494 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.50 | 8.55 | -79.79 | 1 | 8 | 0 | 96 | 455.486 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.50 | 8.03 | -104.98 | 3 | 8 | 2 | 95 | 457.502 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 8.68 | -117.73 | 2 | 8 | 2 | 91 | 457.502 | 8 | ↓ |
