In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2011 | 21 | 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) | 1.93 | 5.26 | -11.42 | 2 | 6 | 0 | 87 | 309.439 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.93 | 6.04 | -51.46 | 3 | 6 | 1 | 91 | 310.447 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.