In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 15 | 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) | -0.67 | 3.43 | -23.87 | 2 | 5 | 0 | 80 | 214.265 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.66 | 2.48 | -59.19 | 2 | 5 | -1 | 86 | 213.257 | 6 | ↓ |