In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 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) | 3.35 | 10.13 | -47.92 | 2 | 1 | 1 | 17 | 290.839 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.35 | 9.32 | -4.63 | 1 | 1 | 0 | 12 | 289.831 | 3 | ↓ |