In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 15 | 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) | 0.66 | 5.32 | -11.07 | 0 | 3 | 0 | 43 | 204.225 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.42 | 5.22 | -43.43 | 0 | 3 | -1 | 49 | 203.217 | 2 | ↓ |