In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2011 | 13 | 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) | 1.84 | 4.91 | -4.86 | 2 | 3 | 0 | 41 | 177.251 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.84 | 5.03 | -25.34 | 3 | 3 | 1 | 42 | 178.259 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.