In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 33 | No |
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) | 6.23 | 17.22 | -12.54 | 1 | 5 | 0 | 59 | 458.993 | 5 | ↓ |
Lo Low (pH 4.5-6) | 6.23 | 17.67 | -31.64 | 2 | 5 | 1 | 61 | 460.001 | 5 | ↓ |