In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 33 | 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) | 4.07 | 15.42 | -11.62 | 1 | 8 | 0 | 88 | 448.523 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.25 | 15.26 | -38.88 | 0 | 8 | -1 | 89 | 447.515 | 9 | ↓ |