In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2010 | 14 | 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) | -1.03 | -2.54 | -55.56 | 3 | 6 | 1 | 83 | 222.29 | 4 | ↓ |
Hi High (pH 8-9.5) | -1.03 | -3.99 | -13.86 | 2 | 6 | 0 | 79 | 221.282 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.