In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 22 | 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) | -1.01 | 2.86 | -33.51 | 5 | 7 | 0 | 126 | 331.438 | 6 | ↓ |
Hi High (pH 8-9.5) | -1.01 | 2.51 | -45.42 | 4 | 7 | -1 | 124 | 330.43 | 6 | ↓ |