In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 27 | 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) | 1.99 | 5.72 | -16.67 | 1 | 7 | 0 | 76 | 369.4 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.99 | 6.16 | -37.67 | 2 | 7 | 1 | 77 | 370.408 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.