In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2009 | 14 | 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) | 0.45 | 2.11 | -41.29 | 3 | 4 | 1 | 57 | 203.306 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.45 | 1.78 | -6.87 | 2 | 4 | 0 | 56 | 202.298 | 7 | ↓ |