In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 29 | 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) | 6.06 | 13.77 | -42.73 | 2 | 3 | 1 | 29 | 403.933 | 4 | ↓ |
Mid Mid (pH 6-8) | 6.06 | 11.99 | -6.25 | 1 | 3 | 0 | 28 | 402.925 | 4 | ↓ |