In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2009 | 31 | No |
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) | 4.70 | 16.19 | -53.88 | 1 | 5 | 1 | 36 | 500.541 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.70 | 13.93 | -12.28 | 0 | 5 | 0 | 35 | 499.533 | 8 | ↓ |