In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 33 | 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) | 6.28 | 13.87 | -48.1 | 1 | 6 | 1 | 56 | 491.077 | 10 | ↓ |
Hi High (pH 8-9.5) | 6.28 | 11.51 | -13.2 | 0 | 6 | 0 | 55 | 490.069 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.