In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2010 | 16 | 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) | 2.61 | 6.85 | -39.73 | 2 | 3 | 1 | 34 | 219.308 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.61 | 4.58 | -8.61 | 1 | 3 | 0 | 32 | 218.3 | 5 | ↓ |