In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 16 | 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) | 1.37 | 4.18 | -41.66 | 2 | 3 | 1 | 23 | 220.34 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.37 | 6.54 | -119.84 | 3 | 3 | 2 | 24 | 221.348 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.37 | 5.14 | -36.19 | 2 | 3 | 1 | 20 | 220.34 | 4 | ↓ |