In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2008 | 27 | 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) | 0.81 | 5.05 | -48.1 | 2 | 8 | 1 | 83 | 375.449 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.81 | 3.33 | -15.67 | 1 | 8 | 0 | 82 | 374.441 | 5 | ↓ |