In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 20 | 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) | 3.83 | 5.01 | -9.22 | 1 | 4 | 0 | 51 | 271.316 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.83 | 5.48 | -7.62 | 2 | 4 | 0 | 53 | 272.324 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.