In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 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) | 0.46 | 0.85 | -43.93 | 3 | 4 | 1 | 49 | 237.323 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.46 | 3.17 | -119.29 | 4 | 4 | 2 | 51 | 238.331 | 4 | ↓ |