In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2010 | 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) | 2.31 | 11.24 | -47.38 | 2 | 5 | 1 | 59 | 341.479 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 9.87 | -7.87 | 1 | 5 | 0 | 54 | 340.471 | 4 | ↓ |