In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 18 | 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) | 0.62 | 3.93 | -84.08 | 4 | 4 | 2 | 45 | 257.422 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.62 | 1.97 | -41.82 | 3 | 4 | 1 | 43 | 256.414 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.