In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 33 | 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) | 4.14 | 7.16 | -13.22 | 3 | 7 | 0 | 99 | 461.905 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.14 | 7.93 | -47.2 | 2 | 7 | -1 | 102 | 460.897 | 5 | ↓ |