In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 39 | 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) | 3.42 | 13.18 | -82.36 | 4 | 8 | 2 | 87 | 539.765 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.60 | 10.84 | -49.04 | 3 | 8 | 1 | 94 | 538.757 | 10 | ↓ |