In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 19th, 2006 | 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) | -0.74 | -1.51 | -47.02 | 3 | 5 | 0 | 103 | 238.244 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.74 | -0.72 | -100.46 | 2 | 5 | -2 | 106 | 237.236 | 1 | ↓ |