In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 20 | 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) | -0.19 | 2.23 | -58.43 | 2 | 7 | 1 | 86 | 277.352 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.19 | 1.08 | -12.41 | 1 | 7 | 0 | 82 | 276.344 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.