In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 32 | 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) | 3.05 | 5.28 | -19.84 | 2 | 8 | 0 | 107 | 453.52 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 5.36 | -62.6 | 1 | 8 | -1 | 109 | 452.512 | 8 | ↓ |