In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 37 | 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) | 5.20 | 14.05 | -61.28 | 4 | 6 | 1 | 72 | 499.679 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.20 | 11.82 | -11.65 | 3 | 6 | 0 | 71 | 498.671 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.