In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 36 | Yes |
None
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) | 3.57 | 14.6 | -59.73 | 1 | 7 | 1 | 64 | 484.576 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.57 | 12.28 | -17.51 | 0 | 7 | 0 | 62 | 483.568 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.