In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 14 | 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) | 1.80 | 6.41 | -41.32 | 1 | 3 | 1 | 21 | 232.76 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.80 | 4.05 | -5.48 | 0 | 3 | 0 | 19 | 231.752 | 2 | ↓ |