In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 35 | 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) | 4.42 | 12.53 | -68.71 | 1 | 7 | 0 | 83 | 478.589 | 12 | ↓ |
Lo Low (pH 4.5-6) | 4.42 | 11.64 | -45.84 | 2 | 7 | 1 | 81 | 479.597 | 12 | ↓ |