In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2010 | 21 | 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) | 2.70 | 9.84 | -9.36 | 1 | 4 | 0 | 47 | 324.471 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.15 | 8.95 | -38.78 | 0 | 4 | -1 | 50 | 323.463 | 4 | ↓ |