In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2011 | 17 | 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) | 1.97 | 0.25 | -38.95 | 6 | 5 | 1 | 100 | 244.359 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.97 | -0.11 | -11.04 | 5 | 5 | 0 | 98 | 243.351 | 10 | ↓ |