In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2010 | 18 | 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) | 2.37 | 10.03 | -35.73 | 2 | 1 | 1 | 17 | 238.354 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 8.81 | -2.9 | 1 | 1 | 0 | 12 | 237.346 | 2 | ↓ |