In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 17 | Yes |
None
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) | 3.52 | 4.76 | -7.34 | 0 | 3 | 0 | 39 | 289.132 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.52 | 5.22 | -39.86 | 1 | 3 | 1 | 40 | 290.14 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.