In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 16 | 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) | 0.43 | 2.77 | -58.99 | 4 | 6 | 1 | 106 | 224.24 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.43 | 1.41 | -13.26 | 3 | 6 | 0 | 101 | 223.232 | 6 | ↓ |