In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 28 | 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) | 4.39 | 11.32 | -42.17 | 1 | 4 | 1 | 28 | 398.596 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.39 | 9.01 | -7.79 | 0 | 4 | 0 | 27 | 397.588 | 6 | ↓ |