In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2011 | 28 | Yes |
None
None
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) | 3.23 | 9.29 | -13.39 | 1 | 5 | 0 | 58 | 397.544 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 11.34 | -54.83 | 2 | 5 | 1 | 59 | 398.552 | 9 | ↓ |