In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 20 | 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) | 2.57 | 8.15 | -55.75 | 2 | 2 | 1 | 26 | 276.306 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 6.92 | -8.06 | 1 | 2 | 0 | 21 | 275.298 | 3 | ↓ |