In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 38 | 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) | 7.38 | 16.35 | -12.64 | 1 | 5 | 0 | 56 | 524.064 | 9 | ↓ |
Mid Mid (pH 6-8) | 7.38 | 16.83 | -40.35 | 2 | 5 | 1 | 57 | 525.072 | 9 | ↓ |