In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2009 | 15 | 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) | 3.31 | 6.79 | -34.01 | 2 | 2 | 1 | 30 | 222.333 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.31 | 5.57 | -4.41 | 1 | 2 | 0 | 25 | 221.325 | 5 | ↓ |