In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 39 | 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) | 7.15 | 15.14 | -44.7 | 0 | 7 | -1 | 88 | 536.689 | 16 | ↓ |
Lo Low (pH 4.5-6) | 7.15 | 14.39 | -11.24 | 1 | 7 | 0 | 85 | 537.697 | 16 | ↓ |