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) | -0.33 | 3.18 | -24.49 | 2 | 5 | 0 | 80 | 212.249 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.41 | 2.11 | -62.67 | 2 | 5 | -1 | 86 | 211.241 | 2 | ↓ |