In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2008 | 37 | 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) | 3.94 | 6.93 | -63.93 | 4 | 8 | 1 | 113 | 527.663 | 12 | ↓ |
Hi High (pH 8-9.5) | 3.94 | 6.62 | -15.29 | 3 | 8 | 0 | 111 | 526.655 | 12 | ↓ |