In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2011 | 21 | 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) | 3.34 | 4.14 | -103.09 | 0 | 6 | -2 | 101 | 345.163 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.34 | 4.12 | -51.39 | 1 | 6 | -1 | 99 | 346.171 | 4 | ↓ |