In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 15 | 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) | 3.39 | 6.76 | -29.38 | 2 | 2 | 1 | 26 | 228.743 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.39 | 5.38 | -3.09 | 1 | 2 | 0 | 21 | 227.735 | 6 | ↓ |