In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 21 | 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) | 1.92 | 6.29 | -53.26 | 2 | 5 | 1 | 58 | 288.371 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 4.37 | -9.61 | 1 | 5 | 0 | 56 | 287.363 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.