In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 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) | -0.44 | 4.48 | -50.35 | 0 | 5 | -1 | 73 | 221.236 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.44 | 4.91 | -68.08 | 1 | 5 | 0 | 75 | 222.244 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.44 | 3.36 | -12.27 | 1 | 5 | 0 | 71 | 222.244 | 5 | ↓ |