In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 35 | 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) | 4.95 | 13.58 | -50.58 | 2 | 5 | 1 | 60 | 473.568 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.95 | 11.2 | -14.4 | 1 | 5 | 0 | 59 | 472.56 | 5 | ↓ |