In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 15 | 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) | 2.25 | 5.77 | -37.28 | 0 | 4 | -1 | 53 | 201.253 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 5.91 | -8.79 | 1 | 4 | 0 | 54 | 202.261 | 4 | ↓ |