In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 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) | 2.20 | 7.27 | -98.31 | 3 | 2 | 2 | 21 | 200.37 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.20 | 5.75 | -36.01 | 2 | 2 | 1 | 20 | 199.362 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.20 | 5.91 | -30.01 | 2 | 2 | 1 | 16 | 199.362 | 6 | ↓ |