In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2007 | 31 | 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) | 4.29 | -0.02 | -22.02 | 0 | 4 | 0 | 46 | 469.632 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.29 | 0.1 | -54.08 | 1 | 4 | 1 | 47 | 470.64 | 8 | ↓ |