In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 17 | 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) | 1.94 | 5.69 | -35.01 | 2 | 3 | 1 | 34 | 236.335 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.94 | 3.09 | -5.33 | 1 | 3 | 0 | 33 | 235.327 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.