In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 20 | No |
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) | 0.61 | 6.3 | -34.5 | 4 | 7 | 1 | 86 | 276.368 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.61 | 4.25 | -9.43 | 3 | 7 | 0 | 85 | 275.36 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.