In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 32 | 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) | 3.72 | 7.32 | -48.99 | 0 | 8 | -1 | 107 | 449.464 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.26 | 9.1 | -15.13 | 1 | 8 | 0 | 104 | 450.472 | 6 | ↓ |