| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2004 | 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) | 2.53 | 7.99 | -39.95 | 0 | 8 | -1 | 111 | 510.979 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | -5.11 | -33.82 | 1 | 8 | 0 | 107 | 511.987 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | -4.86 | -27.68 | 0 | 8 | 0 | 104 | 511.987 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.98 | -4.99 | -56.41 | 2 | 8 | 1 | 109 | 512.995 | 6 | ↓ |
