In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | 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) | 1.98 | 5.64 | -7.47 | 1 | 4 | 0 | 49 | 223.32 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.98 | 6.28 | -26.5 | 2 | 4 | 1 | 50 | 224.328 | 6 | ↓ |