In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 17 | 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) | 1.05 | 4.9 | -40 | 2 | 4 | 1 | 46 | 239.339 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.05 | 3.61 | -7.97 | 1 | 4 | 0 | 42 | 238.331 | 3 | ↓ |