In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2011 | 29 | 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) | 2.25 | 6.91 | -19.46 | 2 | 9 | 0 | 105 | 391.435 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 7.35 | -43.02 | 3 | 9 | 1 | 106 | 392.443 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.