In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 37 | 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) | -0.98 | 1.22 | -48.17 | 1 | 12 | -1 | 144 | 515.522 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.98 | 0.59 | -14.08 | 2 | 12 | 0 | 141 | 516.53 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.98 | 4.66 | -117.32 | 4 | 12 | 2 | 144 | 518.546 | 5 | ↓ |