In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 15 | 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) | -0.60 | 1.13 | -95.69 | 0 | 6 | -2 | 101 | 228.229 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.43 | 1.65 | -68.77 | 1 | 6 | -1 | 102 | 229.237 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.