In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 29 | 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) | 1.40 | 2.4 | -22.06 | 3 | 9 | 0 | 126 | 400.435 | 6 | ↓ |
Ref Reference (pH 7) | 1.84 | 3.11 | -46.35 | 2 | 9 | -1 | 129 | 399.427 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.