In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 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) | 2.11 | 4.11 | -6.97 | 3 | 3 | 0 | 51 | 217.247 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.11 | 4.56 | -32.96 | 4 | 3 | 1 | 52 | 218.255 | 3 | ↓ |