In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 1st, 2009 | 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) | 2.91 | 12.63 | -14.79 | 0 | 7 | 0 | 78 | 452.971 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.91 | 14.9 | -62.47 | 1 | 7 | 1 | 79 | 453.979 | 6 | ↓ |