In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 27 | 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) | 4.77 | 13.82 | -42.81 | 1 | 5 | 1 | 44 | 407.991 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.77 | 11.6 | -11.36 | 0 | 5 | 0 | 43 | 406.983 | 9 | ↓ |