In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 25 | 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) | 3.08 | 11.29 | -8.49 | 0 | 5 | 0 | 54 | 339.439 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.50 | 9.57 | -23.18 | 1 | 5 | 1 | 56 | 340.447 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.