In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 34 | 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) | 2.92 | 11.91 | -46.47 | 2 | 7 | 1 | 74 | 461.586 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 9.79 | -13.43 | 1 | 7 | 0 | 73 | 460.578 | 6 | ↓ |