In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 16 | 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) | 1.31 | 3.92 | -37.72 | 3 | 4 | 1 | 59 | 225.312 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.31 | 2.81 | -6.43 | 2 | 4 | 0 | 54 | 224.304 | 6 | ↓ |