In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 30 | 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) | 0.83 | 8.78 | -30.65 | 1 | 10 | 0 | 118 | 436.336 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 7.69 | -57.74 | 0 | 10 | -1 | 121 | 435.328 | 4 | ↓ |