In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 2nd, 2011 | 28 | 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) | 2.00 | 4.87 | -19.32 | 3 | 7 | 0 | 92 | 401.898 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.00 | 5.33 | -47.15 | 4 | 7 | 1 | 93 | 402.906 | 6 | ↓ |