In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 1st, 2009 | 31 | 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) | 5.27 | 9.68 | -60.13 | 2 | 4 | 1 | 47 | 431.943 | 1 | ↓ |
Lo Low (pH 4.5-6) | 5.27 | 10.08 | -109.29 | 3 | 4 | 2 | 48 | 432.951 | 1 | ↓ |