In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2008 | 34 | 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) | 6.70 | 12.11 | -15.09 | 1 | 5 | 0 | 63 | 488.579 | 5 | ↓ |
Ref Reference (pH 7) | 6.64 | 13.16 | -16.89 | 1 | 5 | 0 | 60 | 488.579 | 5 | ↓ |
Mid Mid (pH 6-8) | 7.16 | 10.88 | -50.35 | 0 | 5 | -1 | 66 | 487.571 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.70 | 11.98 | -13.33 | 1 | 5 | 0 | 63 | 488.579 | 5 | ↓ |