In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 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) | 1.43 | 2.47 | -6.22 | 2 | 3 | 0 | 45 | 200.241 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.43 | 2.93 | -38.15 | 3 | 3 | 1 | 46 | 201.249 | 3 | ↓ |