In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 17 | 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) | 0.32 | 1.37 | -49.29 | 5 | 6 | 1 | 92 | 245.347 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.51 | 0.1 | -25.36 | 4 | 6 | 0 | 98 | 244.339 | 6 | ↓ |