In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 17 | 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) | 2.84 | 6.27 | -31.69 | 3 | 3 | 1 | 40 | 237.367 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.84 | 4.39 | -3.94 | 2 | 3 | 0 | 38 | 236.359 | 7 | ↓ |