In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 27 | No |
None
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) | 0.08 | 0.83 | -66.81 | 7 | 8 | 1 | 127 | 400.569 | 13 | ↓ |
Hi High (pH 8-9.5) | 0.08 | 0.45 | -25.12 | 6 | 8 | 0 | 125 | 399.561 | 13 | ↓ |