In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 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) | 1.45 | 4.42 | -9.48 | 1 | 3 | 0 | 45 | 200.241 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.45 | 5.83 | -41.51 | 2 | 3 | 1 | 50 | 201.249 | 5 | ↓ |