In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 20 | 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) | 1.02 | 1.86 | -45.46 | 4 | 5 | 1 | 72 | 282.408 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.02 | 2.74 | -34.99 | 4 | 5 | 1 | 69 | 282.408 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.02 | 0.26 | -6.69 | 3 | 5 | 0 | 68 | 281.4 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.