| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2008 | 31 | 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) | 1.74 | 7.07 | -61.87 | 0 | 7 | -1 | 95 | 414.441 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 7.88 | -25.99 | 0 | 7 | 0 | 89 | 415.449 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 8.45 | -130.43 | 2 | 7 | 2 | 92 | 417.465 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 8.16 | -57.73 | 1 | 7 | 1 | 91 | 416.457 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 8.17 | -56.1 | 1 | 7 | 1 | 91 | 416.457 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.74 | 6.25 | -19.5 | 1 | 7 | 0 | 93 | 415.449 | 6 | ↓ |
