In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 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) | 3.51 | 7.42 | -28.83 | 3 | 2 | 1 | 30 | 219.352 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 6.76 | -2.81 | 2 | 2 | 0 | 29 | 218.344 | 3 | ↓ |