In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 20 | 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) | 4.03 | 8.76 | -40.1 | 3 | 2 | 1 | 31 | 275.46 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.03 | 9 | -28.17 | 3 | 2 | 1 | 30 | 275.46 | 4 | ↓ |