In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2006 | 25 | 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) | 2.06 | 8.93 | -45.49 | 2 | 5 | 1 | 53 | 335.431 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.06 | 9.21 | -93.03 | 3 | 5 | 2 | 55 | 336.439 | 3 | ↓ |