In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 28 | 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) | 5.08 | 8.43 | -15.41 | 1 | 5 | 0 | 67 | 387.464 | 3 | ↓ |
Hi High (pH 8-9.5) | 5.08 | 9.2 | -50.37 | 0 | 5 | -1 | 70 | 386.456 | 3 | ↓ |