In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2010 | 29 | 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) | -2.50 | 3.31 | -381.54 | 1 | 14 | -4 | 226 | 470.16 | 8 | ↓ |
Mid Mid (pH 6-8) | -2.50 | 2.16 | -243.45 | 2 | 14 | -3 | 223 | 471.168 | 8 | ↓ |