In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 16 | 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) | -0.36 | 0.23 | -94.81 | 4 | 4 | 2 | 36 | 230.4 | 0 | ↓ |
Hi High (pH 8-9.5) | -0.36 | 0.56 | -97.67 | 4 | 4 | 2 | 36 | 230.4 | 0 | ↓ |
Hi High (pH 8-9.5) | -0.36 | -3.09 | -40.47 | 3 | 4 | 1 | 35 | 229.392 | 0 | ↓ |
Lo Low (pH 4.5-6) | -0.36 | 3.24 | -204.02 | 5 | 4 | 3 | 38 | 231.408 | 0 | ↓ |