In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 20 | 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) | 2.03 | 1.04 | -17.65 | 4 | 5 | 0 | 92 | 290.706 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 1.71 | -47.02 | 3 | 5 | -1 | 95 | 289.698 | 3 | ↓ |