In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2015 | 15 | 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) | 2.69 | 7.79 | -35.54 | 2 | 2 | 1 | 20 | 203.309 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 5.33 | -5.29 | 1 | 2 | 0 | 19 | 202.301 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.