In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 13 | 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) | 1.91 | 5.93 | -41.82 | 2 | 1 | 1 | 17 | 186.225 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 4.79 | -2.01 | 1 | 1 | 0 | 12 | 185.217 | 3 | ↓ |