In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 22 | No |
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) | 0.18 | 2.77 | -29.75 | 2 | 5 | 1 | 70 | 293.302 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 4.55 | -24.81 | 1 | 5 | 0 | 68 | 292.294 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.