In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2011 | 19 | 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) | 2.68 | 8.75 | -32.72 | 1 | 4 | 1 | 34 | 275.763 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 8.44 | -6.06 | 0 | 4 | 0 | 32 | 274.755 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.68 | 9.09 | -79.98 | 2 | 4 | 2 | 35 | 276.771 | 2 | ↓ |