In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 20 | 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) | 2.81 | 5.59 | -134.82 | 4 | 4 | 2 | 51 | 345.281 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 4.52 | -49.84 | 3 | 4 | 1 | 49 | 344.273 | 5 | ↓ |