In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 19 | 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) | 1.18 | 0.71 | -90.31 | 1 | 7 | -2 | 118 | 257.205 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.72 | 2.55 | -52.99 | 2 | 7 | -1 | 115 | 258.213 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.