In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 30 | 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) | 4.12 | 9.53 | -22.34 | 0 | 5 | 0 | 58 | 447.293 | 3 | ↓ |
Ref Reference (pH 7) | 4.12 | 9.39 | -11.79 | 0 | 5 | 0 | 58 | 447.293 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.12 | 11.89 | -54.97 | 1 | 5 | 1 | 59 | 448.301 | 3 | ↓ |