In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 30 | 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) | 1.03 | 3.76 | -65.17 | 8 | 12 | 1 | 177 | 460.477 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.03 | 4.12 | -103.05 | 9 | 12 | 2 | 179 | 461.485 | 8 | ↓ |