In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 18th, 2011 | 27 | 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) | 1.92 | 5.96 | -19.54 | 0 | 9 | 0 | 108 | 371.328 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 7.08 | -42.31 | 1 | 9 | 1 | 109 | 372.336 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.