In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2011 | 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) | 1.44 | 6.31 | -48.09 | 1 | 6 | -1 | 87 | 255.257 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.44 | 6.9 | -47.47 | 2 | 6 | 0 | 88 | 256.265 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.