In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2005 | 36 | 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) | 7.10 | 12.92 | -13.26 | 1 | 6 | 0 | 73 | 496.588 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.61 | 12.48 | -45.32 | 0 | 6 | -1 | 72 | 495.58 | 8 | ↓ |