In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 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) | 3.11 | 5.61 | -9.09 | 1 | 3 | 0 | 47 | 214.22 | 0 | ↓ |
Hi High (pH 8-9.5) | 3.11 | 6.37 | -39.43 | 0 | 3 | -1 | 49 | 213.212 | 0 | ↓ |