In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 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) | 5.62 | 11.48 | -61.4 | 2 | 4 | 0 | 66 | 328.371 | 3 | ↓ |
Hi High (pH 8-9.5) | 5.62 | 11.08 | -51.06 | 1 | 4 | -1 | 65 | 327.363 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.