In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2010 | 18 | 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) | 2.63 | 8.6 | -46.92 | 0 | 3 | -1 | 53 | 238.266 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.63 | 9.05 | -44.23 | 1 | 3 | 0 | 54 | 239.274 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.