In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 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) | 2.80 | 8.17 | -13.03 | 2 | 6 | 0 | 88 | 433.515 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 10.52 | -55.18 | 3 | 6 | 1 | 89 | 434.523 | 4 | ↓ |