In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 22 | 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) | -0.40 | 5.45 | -116.46 | 1 | 7 | -2 | 119 | 307.302 | 8 | ↓ |
Lo Low (pH 4.5-6) | -0.40 | 4.32 | -59.8 | 2 | 7 | -1 | 116 | 308.31 | 8 | ↓ |
Lo Low (pH 4.5-6) | -0.40 | 4.33 | -52.74 | 2 | 7 | -1 | 116 | 308.31 | 8 | ↓ |