In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2009 | 32 | 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) | -0.47 | 5.03 | -191.03 | 1 | 11 | -3 | 174 | 436.404 | 9 | ↓ |
Mid Mid (pH 6-8) | -0.92 | 6.17 | -140.29 | 2 | 11 | -2 | 171 | 437.412 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.