In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 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) | 1.16 | 7.54 | -16.33 | 0 | 4 | 0 | 47 | 235.283 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 6.4 | -51.97 | 0 | 4 | -1 | 53 | 234.275 | 5 | ↓ |