In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 14 | 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) | 1.45 | 6.27 | -125.29 | 0 | 4 | -2 | 80 | 198.218 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.45 | 4.26 | -45.05 | 1 | 4 | -1 | 77 | 199.226 | 2 | ↓ |