In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 26 | 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) | 0.06 | 4.68 | -18.22 | 4 | 10 | 0 | 131 | 353.39 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.06 | 5.18 | -39.19 | 5 | 10 | 1 | 132 | 354.398 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.