In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2010 | 19 | 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) | 2.76 | 7.3 | -48.19 | 0 | 4 | -1 | 62 | 254.265 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.76 | 7.75 | -47.33 | 1 | 4 | 0 | 63 | 255.273 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.