In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 16 | 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) | 2.30 | 5.21 | -42.56 | 3 | 3 | 1 | 48 | 227.372 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.30 | 4.91 | -5.54 | 2 | 3 | 0 | 46 | 226.364 | 5 | ↓ |