In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 16 | 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) | 1.66 | 4.21 | -8.56 | 1 | 3 | 0 | 36 | 232.308 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.66 | 4.71 | -27.59 | 2 | 3 | 1 | 38 | 233.316 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.