In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 13 | 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) | 3.10 | 5.08 | -8.43 | 1 | 2 | 0 | 37 | 178.231 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.10 | 6.08 | -54.35 | 0 | 2 | -1 | 40 | 177.223 | 2 | ↓ |