In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2011 | 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) | 1.62 | 5.19 | -47.52 | 2 | 3 | 1 | 37 | 284.177 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.62 | 3.75 | -6.85 | 1 | 3 | 0 | 32 | 283.169 | 2 | ↓ |