In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 32 | 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) | 8.29 | 16.46 | -12.62 | 0 | 3 | 0 | 39 | 435.91 | 5 | ↓ |
Lo Low (pH 4.5-6) | 8.29 | 16.71 | -27.81 | 1 | 3 | 1 | 40 | 436.918 | 5 | ↓ |