In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 26 | 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) | 3.99 | 9.78 | -41.34 | 2 | 4 | 1 | 42 | 376.883 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.99 | 7.17 | -10.6 | 1 | 4 | 0 | 41 | 375.875 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.99 | 10.22 | -96.89 | 3 | 4 | 2 | 43 | 377.891 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.