In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 5th, 2006 | 24 | 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) | 3.50 | -2.99 | -60.94 | 2 | 5 | -1 | 81 | 327.404 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.45 | 9.42 | -13.77 | 1 | 7 | 0 | 77 | 440.54 | 9 | ↓ |