In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 34 | 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) | 6.04 | 14.34 | -12.51 | 1 | 4 | 0 | 42 | 456.63 | 8 | ↓ |
Lo Low (pH 4.5-6) | 6.04 | 16.16 | -47.48 | 2 | 4 | 1 | 43 | 457.638 | 8 | ↓ |