In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 19 | 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) | 0.39 | 5.01 | -41.67 | 3 | 6 | 1 | 76 | 266.369 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.39 | 3.77 | -11.52 | 2 | 6 | 0 | 72 | 265.361 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.