In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 21 | 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) | 1.49 | 5.74 | -11.31 | 1 | 7 | 0 | 78 | 288.355 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.49 | 6.09 | -39.39 | 2 | 7 | 1 | 79 | 289.363 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.