In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 17 | 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) | 0.64 | 0.5 | -43.81 | 2 | 5 | 1 | 65 | 258.367 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.64 | -0.73 | -8.87 | 1 | 5 | 0 | 60 | 257.359 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.