In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2008 | 19 | 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) | 0.52 | 3.27 | -57.55 | 4 | 4 | 1 | 73 | 260.292 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.52 | 1.8 | -12.31 | 3 | 4 | 0 | 68 | 259.284 | 5 | ↓ |