In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 35 | No |
None
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) | 0.45 | -4.72 | -17.8 | 6 | 12 | 0 | 189 | 492.433 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.45 | -3.66 | -66.43 | 5 | 12 | -1 | 191 | 491.425 | 6 | ↓ |