In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 23 | 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) | 1.37 | 5.84 | -31.79 | 2 | 6 | 1 | 64 | 334.469 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.37 | 7.78 | -45.43 | 2 | 6 | 1 | 64 | 334.469 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.