In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 15 | 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) | 2.34 | 6.4 | -6.2 | 2 | 3 | 0 | 52 | 199.257 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.34 | 6.81 | -28.86 | 3 | 3 | 1 | 53 | 200.265 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.