In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2011 | 23 | Yes |
None
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) | 2.24 | 5.61 | -45.99 | 3 | 7 | 1 | 81 | 337.787 | 3 | ↓ |
Ref Reference (pH 7) | 2.24 | 5.61 | -45.83 | 3 | 7 | 1 | 81 | 337.787 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.24 | 5.14 | -15.7 | 2 | 7 | 0 | 79 | 336.779 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.24 | 5.13 | -13.32 | 2 | 7 | 0 | 79 | 336.779 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.