In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 24 | 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) | 2.81 | 6.44 | -39.75 | 3 | 5 | 1 | 62 | 345.389 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 4.32 | -11.13 | 2 | 5 | 0 | 61 | 344.381 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.