In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 19 | No |
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) | 2.46 | 5.52 | -14.45 | 3 | 6 | 0 | 101 | 274.305 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.46 | 5.99 | -42.48 | 4 | 6 | 1 | 102 | 275.313 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.