In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 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) | 2.00 | 4.16 | -5.83 | 1 | 3 | 0 | 36 | 226.707 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.00 | 4.63 | -28.68 | 2 | 3 | 1 | 38 | 227.715 | 2 | ↓ |