| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 35 | 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) | 4.44 | 11.32 | -41.96 | 0 | 7 | -1 | 95 | 502.959 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.88 | 9.95 | -32.21 | 1 | 7 | 0 | 93 | 503.967 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.88 | 10.24 | -66.68 | 2 | 7 | 1 | 94 | 504.975 | 3 | ↓ |
