In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 29 | 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) | 4.37 | 5.19 | -30.36 | 3 | 8 | 1 | 99 | 394.455 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.88 | 5.39 | -58.01 | 1 | 8 | -1 | 100 | 392.439 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.