In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 14 | 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) | 1.99 | 4.84 | -36.48 | 0 | 4 | -1 | 53 | 207.644 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.99 | 4.98 | -10.13 | 1 | 4 | 0 | 54 | 208.652 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.