In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2014 | 59 | 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) | -0.01 | 5.49 | -341.9 | 6 | 24 | -4 | 375 | 917.762 | 28 | ↓ |
Mid Mid (pH 6-8) | -0.01 | 4.34 | -218.34 | 7 | 24 | -3 | 372 | 918.77 | 28 | ↓ |
No pre-computed analogs available. Try a structural similarity search.