In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2008 | 20 | 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) | 3.09 | 6.38 | -41.13 | 3 | 3 | 1 | 46 | 274.384 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.09 | 5.1 | -5.56 | 2 | 3 | 0 | 41 | 273.376 | 7 | ↓ |