In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 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) | 2.10 | 5.76 | -107.03 | 4 | 2 | 2 | 32 | 200.37 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.10 | 5.48 | -28.89 | 3 | 2 | 1 | 30 | 199.362 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.10 | 3.72 | -40.95 | 3 | 2 | 1 | 31 | 199.362 | 5 | ↓ |