In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 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) | 0.37 | 0.7 | -39.29 | 1 | 6 | 1 | 56 | 283.396 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.37 | -1.81 | -8.42 | 0 | 6 | 0 | 55 | 282.388 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.