In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 26 | Yes |
None
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) | 2.83 | 7.69 | -38.48 | 3 | 6 | 1 | 76 | 364.454 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 7.21 | -13.21 | 2 | 6 | 0 | 75 | 363.446 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.