In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2005 | 25 | 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) | 3.10 | 6.63 | -49.54 | 2 | 5 | 1 | 46 | 343.447 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 4.31 | -10.92 | 1 | 5 | 0 | 45 | 342.439 | 6 | ↓ |