In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 33 | 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) | 3.40 | 8.45 | -40.76 | 2 | 7 | 1 | 71 | 480.639 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.41 | 7.96 | -19.92 | 1 | 7 | 0 | 70 | 479.631 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 10.64 | -97.96 | 3 | 7 | 2 | 72 | 481.647 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 10.66 | -115.01 | 3 | 7 | 2 | 72 | 481.647 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.