In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 31 | Yes |
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) | 4.77 | 9.37 | -10.69 | 2 | 6 | 0 | 78 | 439.943 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.77 | 10.14 | -47.69 | 1 | 6 | -1 | 81 | 438.935 | 7 | ↓ |