In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2014 | 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) | 2.16 | 3.92 | -11.93 | 2 | 3 | 0 | 55 | 242.322 | 0 | ↓ |
Lo Low (pH 4.5-6) | 2.16 | 3.94 | -64.88 | 3 | 3 | 1 | 57 | 243.33 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.