In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 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) | 6.02 | 15.33 | -41.74 | 1 | 5 | 1 | 41 | 448.631 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.02 | 14.02 | -12.72 | 0 | 5 | 0 | 40 | 447.623 | 9 | ↓ |