In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 32 | 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) | 4.17 | 6.82 | -17.39 | 3 | 8 | 0 | 105 | 465.457 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.35 | 4.93 | -44.28 | 2 | 8 | -1 | 112 | 464.449 | 7 | ↓ |