In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 30 | 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) | 2.81 | 10.64 | -55.71 | 1 | 8 | 1 | 83 | 415.514 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 8.42 | -13.76 | 0 | 8 | 0 | 82 | 414.506 | 3 | ↓ |