In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2008 | 15 | Yes |
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) | 1.90 | 6.66 | -32.77 | 1 | 2 | 1 | 8 | 205.325 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.90 | 4.82 | -2.35 | 0 | 2 | 0 | 6 | 204.317 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 8.83 | -106.47 | 2 | 2 | 2 | 9 | 206.333 | 2 | ↓ |