In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2011 | 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) | 2.27 | 7.86 | -33.06 | 2 | 4 | 1 | 43 | 291.463 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 6.27 | -8.25 | 1 | 4 | 0 | 42 | 290.455 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.27 | 9.55 | -108.66 | 3 | 4 | 2 | 45 | 292.471 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.27 | 7.78 | -92.79 | 3 | 4 | 2 | 48 | 292.471 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.