In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 21 | 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) | 2.24 | 9.96 | -32.15 | 2 | 4 | 1 | 42 | 324.495 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 8.66 | -33.21 | 1 | 4 | 0 | 45 | 323.487 | 5 | ↓ |