In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 30 | No |
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) | 4.34 | 9.96 | -14.03 | 2 | 9 | 0 | 126 | 427.486 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.34 | 9.75 | -48.55 | 1 | 9 | -1 | 124 | 426.478 | 8 | ↓ |