In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 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) | -0.23 | 1.17 | -56.27 | 3 | 6 | -1 | 110 | 238.219 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.23 | 2.25 | -124.38 | 2 | 6 | -2 | 113 | 237.211 | 4 | ↓ |