In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 27 | 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) | 3.63 | 8.68 | -49.53 | 3 | 5 | 1 | 70 | 386.541 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.09 | 6.27 | -43.77 | 2 | 5 | 0 | 74 | 385.533 | 7 | ↓ |