In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 31 | 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) | 6.52 | 14.46 | -51.14 | 1 | 5 | 1 | 47 | 481.469 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.52 | 12.08 | -8.88 | 0 | 5 | 0 | 46 | 480.461 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.