In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2010 | 20 | 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) | 4.65 | 7.31 | -9.15 | 1 | 2 | 0 | 33 | 297.404 | 1 | ↓ |
Hi High (pH 8-9.5) | 4.65 | 8.08 | -43.57 | 0 | 2 | -1 | 36 | 296.396 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.