In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 32 | Yes |
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) | 0.06 | 6.66 | -62.82 | 3 | 8 | 1 | 93 | 448.494 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.06 | 7.17 | -99.06 | 4 | 8 | 2 | 94 | 449.502 | 6 | ↓ |