In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 38 | 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) | -0.66 | 1.59 | -119.58 | 4 | 15 | -2 | 233 | 562.542 | 11 | ↓ |
Hi High (pH 8-9.5) | -0.66 | 1.85 | -191.32 | 3 | 15 | -3 | 231 | 561.534 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.