In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 34 | Yes |
None
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) | 0.68 | 7.35 | -39.09 | 3 | 7 | 1 | 88 | 457.554 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.68 | 8.13 | -23.33 | 2 | 7 | 0 | 91 | 456.546 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.