In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 19 | 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) | 1.77 | 4.09 | -52.97 | 3 | 4 | 1 | 53 | 258.345 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.77 | 3.71 | -7.3 | 2 | 4 | 0 | 51 | 257.337 | 2 | ↓ |