In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 31 | 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) | 0.70 | 5.75 | -53.14 | 0 | 9 | -1 | 110 | 427.433 | 9 | ↓ |
Lo Low (pH 4.5-6) | 0.70 | 4.45 | -21.34 | 1 | 9 | 0 | 107 | 428.441 | 9 | ↓ |