In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 25 | Yes |
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) | 2.46 | 5.93 | -21.01 | 2 | 8 | 0 | 109 | 436.32 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 4.72 | -51.46 | 1 | 8 | -1 | 116 | 435.312 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.