In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 32 | 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) | 2.33 | 6.05 | -23.86 | 0 | 8 | 0 | 87 | 471.608 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.33 | 8.37 | -62.75 | 1 | 8 | 1 | 88 | 472.616 | 5 | ↓ |