In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2011 | 18 | 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) | 1.09 | 0.81 | -12.18 | 2 | 7 | 0 | 92 | 242.242 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.09 | 1.27 | -37.87 | 3 | 7 | 1 | 93 | 243.25 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.