In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2010 | 21 | 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) | -0.75 | 2.37 | -53.1 | 3 | 6 | 1 | 76 | 295.359 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.75 | 0.99 | -13.13 | 2 | 6 | 0 | 71 | 294.351 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.