In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 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) | 4.33 | 12.23 | -17.32 | 1 | 6 | 0 | 65 | 417.44 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.33 | 12.64 | -39.05 | 2 | 6 | 1 | 66 | 418.448 | 3 | ↓ |