In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2010 | 28 | 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) | 2.25 | 4.46 | -48.58 | 3 | 5 | 1 | 57 | 389.491 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 4.35 | -45.6 | 3 | 5 | 1 | 57 | 389.491 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 2.2 | -9.71 | 2 | 5 | 0 | 56 | 388.483 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.