In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 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) | 3.60 | 9.72 | -55.54 | 3 | 8 | 1 | 108 | 413.498 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.60 | 7.53 | -15.14 | 2 | 8 | 0 | 107 | 412.49 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.