In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 17 | No |
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) | 3.49 | 10.37 | -18.61 | 0 | 2 | 0 | 34 | 236.286 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.23 | 9.27 | -51.52 | 0 | 2 | -1 | 40 | 235.278 | 6 | ↓ |