In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 16 | 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) | 2.35 | 8.79 | -18.67 | 0 | 3 | 0 | 43 | 220.268 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.09 | 7.71 | -57.95 | 0 | 3 | -1 | 49 | 219.26 | 5 | ↓ |