In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 15th, 2010 | 27 | 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) | 3.34 | 7.8 | -58.04 | 0 | 5 | -1 | 69 | 405.927 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.34 | 7.7 | -18.65 | 1 | 5 | 0 | 66 | 406.935 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.