In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 31 | 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) | 5.35 | 16.61 | -49.25 | 1 | 4 | 1 | 33 | 433.645 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.35 | 14.38 | -7.48 | 0 | 4 | 0 | 32 | 432.637 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.