| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 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) | 3.75 | 8.95 | -41.95 | 1 | 8 | -1 | 112 | 501.559 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.20 | 8.99 | -16.96 | 2 | 8 | 0 | 109 | 502.567 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | -1.32 | -16.42 | 1 | 8 | 0 | 106 | 502.567 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.20 | 9.27 | -53.17 | 3 | 8 | 1 | 110 | 503.575 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.17 | -1.21 | -55.43 | 2 | 8 | 1 | 107 | 503.575 | 10 | ↓ |
