In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 2nd, 2011 | 25 | 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) | 3.02 | 9.43 | -36.13 | 2 | 5 | 1 | 53 | 337.447 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.02 | 6.83 | -10.38 | 1 | 5 | 0 | 52 | 336.439 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.