In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 36 | 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) | 6.10 | 20.26 | -17.43 | 0 | 6 | 0 | 53 | 471.564 | 4 | ↓ |
Mid Mid (pH 6-8) | 6.10 | 20.65 | -28.89 | 1 | 6 | 1 | 55 | 472.572 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.