In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 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) | 0.02 | 1.83 | -55.43 | 1 | 6 | -1 | 95 | 189.154 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.02 | 2.26 | -37.56 | 2 | 6 | 0 | 96 | 190.162 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.