In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2005 | 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) | 4.71 | 10.81 | -19.25 | 1 | 6 | 0 | 75 | 420.966 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.90 | 9.34 | -51.74 | 0 | 6 | -1 | 82 | 419.958 | 8 | ↓ |