In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2007 | 29 | 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) | 0.59 | -0.96 | -21.14 | 1 | 8 | 0 | 94 | 409.471 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.59 | -0.85 | -47.37 | 2 | 8 | 1 | 96 | 410.479 | 3 | ↓ |