In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2009 | 29 | No |
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) | 4.94 | 5.31 | -44.9 | 1 | 6 | -1 | 95 | 432.283 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.94 | 6.08 | -92.32 | 0 | 6 | -2 | 98 | 431.275 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.