In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 37 | 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) | 6.34 | 16.25 | -47.19 | 2 | 5 | 1 | 50 | 511.612 | 7 | ↓ |
Lo Low (pH 4.5-6) | 6.34 | 16.57 | -105.91 | 3 | 5 | 2 | 51 | 512.62 | 7 | ↓ |