In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 35 | 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) | 5.44 | 12.7 | -13.28 | 0 | 4 | 0 | 36 | 471.62 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.44 | 15.2 | -48.09 | 1 | 4 | 1 | 38 | 472.628 | 7 | ↓ |