In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 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) | -0.12 | -0.34 | -17.96 | 2 | 11 | 0 | 132 | 482.538 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.12 | 0.29 | -57.15 | 1 | 11 | -1 | 134 | 481.53 | 7 | ↓ |
Lo Low (pH 4.5-6) | -0.12 | 1.35 | -42.26 | 3 | 11 | 1 | 133 | 483.546 | 7 | ↓ |