In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 2nd, 2011 | 33 | 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) | 6.27 | 15.6 | -18.49 | 2 | 5 | 0 | 63 | 474.655 | 7 | ↓ |
Mid Mid (pH 6-8) | 7.00 | 15.68 | -58.81 | 1 | 5 | -1 | 60 | 473.647 | 7 | ↓ |