In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2011 | 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) | 3.72 | 4.83 | -2.9 | 3 | 2 | 0 | 38 | 190.29 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.72 | 5.08 | -32.84 | 4 | 2 | 1 | 43 | 191.298 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.