In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 22nd, 2011 | 20 | 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) | 2.51 | 3.23 | -14.83 | 3 | 5 | 0 | 78 | 270.288 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.51 | 4.24 | -55.39 | 2 | 5 | -1 | 81 | 269.28 | 3 | ↓ |