In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2011 | 25 | 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) | 0.36 | 3.5 | -18.2 | 0 | 8 | 0 | 75 | 349.387 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.36 | 5.76 | -54.81 | 1 | 8 | 1 | 77 | 350.395 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.