In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 11th, 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) | 3.09 | 9.4 | -52.23 | 2 | 6 | 0 | 85 | 426.488 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.09 | 8.27 | -52.08 | 3 | 6 | 1 | 82 | 427.496 | 9 | ↓ |