In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 18 | 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) | 2.94 | 6.91 | -30.83 | 2 | 2 | 1 | 29 | 259.398 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 6.01 | -4.63 | 1 | 2 | 0 | 25 | 258.39 | 3 | ↓ |