In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2006 | 18 | No |
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) | 1.44 | 3.85 | -9.36 | 1 | 4 | 0 | 63 | 239.23 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.44 | 4.15 | -39.78 | 2 | 4 | 1 | 65 | 240.238 | 1 | ↓ |