In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 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) | 0.67 | -0.14 | -38.54 | 2 | 7 | -1 | 97 | 204.169 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.67 | 0.02 | -14.09 | 3 | 7 | 0 | 99 | 205.177 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.