In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 22 | 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) | -0.16 | 9.9 | -67.28 | 2 | 7 | 1 | 78 | 296.358 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.16 | 8.75 | -14.37 | 1 | 7 | 0 | 73 | 295.35 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.