In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 14 | 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) | 2.32 | 5.93 | -121.48 | 4 | 2 | 2 | 32 | 200.37 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.32 | 5.66 | -33.88 | 3 | 2 | 1 | 30 | 199.362 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.32 | 4.08 | -39.19 | 3 | 2 | 1 | 31 | 199.362 | 3 | ↓ |