In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 1st, 2009 | 29 | 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) | -0.26 | 0.16 | -18.94 | 3 | 13 | 0 | 162 | 398.387 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.26 | 2.57 | -50 | 4 | 13 | 1 | 164 | 399.395 | 6 | ↓ |