In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2011 | 38 | 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) | 5.33 | 5.31 | -58.52 | 4 | 9 | -1 | 138 | 523.426 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.87 | 6.72 | -31.45 | 5 | 9 | 0 | 135 | 524.434 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.