In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 16th, 2011 | 11 | 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) | 0.37 | 5.08 | -30.51 | 1 | 3 | 1 | 28 | 153.205 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.37 | 4.57 | -6.38 | 0 | 3 | 0 | 27 | 152.197 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.