In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2010 | 25 | 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) | 2.05 | 7.49 | -18.37 | 0 | 5 | 0 | 46 | 341.386 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.05 | 7.95 | -47.09 | 1 | 5 | 1 | 47 | 342.394 | 5 | ↓ |