In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 31 | 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) | 1.42 | 11.08 | -56.6 | 2 | 7 | 1 | 72 | 418.521 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.42 | 8.75 | -17.51 | 1 | 7 | 0 | 70 | 417.513 | 8 | ↓ |