In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2009 | 42 | No |
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) | 6.53 | 18.22 | -96.82 | 2 | 6 | 2 | 36 | 577.764 | 12 | ↓ |
Hi High (pH 8-9.5) | 6.53 | 15.99 | -47.59 | 1 | 6 | 1 | 34 | 576.756 | 12 | ↓ |