In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 8th, 2009 | 14 | Yes |
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) | 1.07 | 1.75 | -45.29 | 1 | 5 | -1 | 93 | 192.15 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.07 | 2.69 | -100.31 | 0 | 5 | -2 | 96 | 191.142 | 2 | ↓ |