In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2009 | 29 | 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) | 0.76 | 8.13 | -45.38 | 1 | 9 | 1 | 87 | 403.507 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.76 | 5.84 | -8.75 | 0 | 9 | 0 | 86 | 402.499 | 8 | ↓ |