In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2006 | 27 | Yes |
None
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) | 2.45 | 7.4 | -12.76 | 1 | 6 | 0 | 81 | 362.385 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.45 | 7.65 | -41.14 | 2 | 6 | 1 | 83 | 363.393 | 1 | ↓ |