In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 14 | No |
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) | 1.79 | 6.88 | -15.37 | 1 | 4 | 0 | 49 | 193.25 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.79 | 7.22 | -31.52 | 2 | 4 | 1 | 50 | 194.258 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.