In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | 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) | 3.46 | 7.1 | -4.54 | 1 | 4 | 0 | 39 | 275.396 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.46 | 7.18 | -34.58 | 2 | 4 | 1 | 44 | 276.404 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.