In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2011 | 24 | 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) | 0.66 | 6.07 | -51.04 | 2 | 7 | 1 | 76 | 333.412 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.66 | 3.78 | -13.12 | 1 | 7 | 0 | 75 | 332.404 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.