In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 9th, 2009 | 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) | 4.09 | 6.5 | -9.92 | 1 | 3 | 0 | 46 | 330.236 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.09 | 6.09 | -44.5 | 0 | 3 | -1 | 48 | 329.228 | 4 | ↓ |