In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 30 | 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) | 4.21 | 9.35 | -28.04 | 1 | 7 | 0 | 92 | 462.984 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.39 | 6.94 | -61.7 | 0 | 7 | -1 | 99 | 461.976 | 5 | ↓ |