In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 18 | 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) | 2.92 | 6.84 | -33.71 | 1 | 3 | 1 | 17 | 269.796 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 4.56 | -5.21 | 0 | 3 | 0 | 16 | 268.788 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.92 | 6.83 | -34.99 | 1 | 3 | 1 | 17 | 269.796 | 5 | ↓ |