In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 17 | 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) | 1.25 | 5.2 | -54.5 | 2 | 5 | -1 | 79 | 235.263 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.25 | 3.21 | -7.76 | 3 | 5 | 0 | 76 | 236.271 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.