In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2008 | 33 | No |
None
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) | 6.30 | 13.42 | -9.83 | 1 | 6 | 0 | 72 | 508.471 | 11 | ↓ |
Hi High (pH 8-9.5) | 6.83 | 12.35 | -45.25 | 0 | 6 | -1 | 74 | 507.463 | 12 | ↓ |