In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | 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) | 1.77 | 6.07 | -41.27 | 4 | 4 | 1 | 55 | 259.377 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 6.52 | -76.77 | 5 | 4 | 2 | 57 | 260.385 | 6 | ↓ |