In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 24 | Yes |
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) | 1.94 | 7.36 | -54.46 | 2 | 6 | 1 | 57 | 333.387 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.94 | 4.82 | -16.15 | 1 | 6 | 0 | 56 | 332.379 | 4 | ↓ |