In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2011 | 43 | 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) | 0.80 | 10.24 | -247.79 | 1 | 16 | -3 | 222 | 630.423 | 10 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 9.09 | -128.56 | 2 | 16 | -2 | 219 | 631.431 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.