In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 21 | 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) | 4.30 | 11.56 | -54.14 | 1 | 5 | 1 | 67 | 293.387 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.30 | 9.58 | -13.87 | 0 | 5 | 0 | 66 | 292.379 | 10 | ↓ |