In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2009 | 37 | Yes |
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) | 6.63 | 17.79 | -56.12 | 2 | 5 | 1 | 44 | 513.559 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.63 | 15.54 | -12.13 | 1 | 5 | 0 | 42 | 512.551 | 9 | ↓ |