In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 19 | 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) | 2.10 | 7.05 | -8.68 | 1 | 4 | 0 | 47 | 260.337 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.10 | 7.56 | -36.05 | 2 | 4 | 1 | 49 | 261.345 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.