In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2009 | 29 | 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) | 3.55 | 5.27 | -11.28 | 2 | 5 | 0 | 73 | 406.869 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.55 | 6.01 | -49.91 | 1 | 5 | -1 | 76 | 405.861 | 3 | ↓ |