In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2004 | 29 | 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) | 2.45 | 7.77 | -14.52 | 1 | 7 | 0 | 100 | 433.917 | 3 | ↓ |
Ref Reference (pH 7) | 2.45 | 7.76 | -13.49 | 1 | 7 | 0 | 100 | 433.917 | 3 | ↓ |
Ref Reference (pH 7) | 2.45 | 7.73 | -12.5 | 1 | 7 | 0 | 100 | 433.917 | 3 | ↓ |
Ref Reference (pH 7) | 2.45 | 7.73 | -12.58 | 1 | 7 | 0 | 100 | 433.917 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.