In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 34 | 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) | 4.38 | 10.32 | -32.98 | 1 | 8 | 0 | 115 | 499.614 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.57 | 9.26 | -68.85 | 0 | 8 | -1 | 122 | 498.606 | 9 | ↓ |