In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 25 | No |
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) | 2.59 | 8.35 | -34.59 | 1 | 5 | -1 | 66 | 363.434 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.34 | 9.45 | -11.51 | 2 | 5 | 0 | 60 | 364.442 | 7 | ↓ |