In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2010 | 19 | 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) | 4.08 | 9.69 | -46.8 | 0 | 3 | -1 | 53 | 254.309 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.08 | 10.14 | -44.65 | 1 | 3 | 0 | 54 | 255.317 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.