In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 31 | 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) | 5.17 | 6.82 | -12.47 | 2 | 7 | 0 | 79 | 424.545 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.17 | 9.09 | -47.32 | 3 | 7 | 1 | 80 | 425.553 | 6 | ↓ |