In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 27 | No |
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) | -1.36 | 0.01 | -68.45 | 8 | 12 | 1 | 185 | 437.42 | 4 | ↓ |
Hi High (pH 8-9.5) | -1.36 | -0.38 | -32.79 | 7 | 12 | 0 | 184 | 436.412 | 4 | ↓ |