In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2009 | 15 | 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) | 1.21 | 8.07 | -41.8 | 1 | 3 | 0 | 45 | 225.313 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.21 | 5.75 | -44.92 | 0 | 3 | -1 | 43 | 224.305 | 6 | ↓ |