In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 19th, 2006 | 25 | 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) | 6.77 | 10.37 | -7.75 | 2 | 3 | 0 | 49 | 392.669 | 3 | ↓ |
Hi High (pH 8-9.5) | 6.77 | 11.31 | -47.2 | 1 | 3 | -1 | 52 | 391.661 | 3 | ↓ |