In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 25 | 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) | 1.13 | 3.17 | -15.14 | 3 | 8 | 0 | 104 | 358.789 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.13 | 3.61 | -32 | 4 | 8 | 1 | 105 | 359.797 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.