In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2011 | 18 | 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) | 0.94 | 4.19 | -40.41 | 2 | 4 | 1 | 38 | 257.398 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.94 | 5.82 | -100.3 | 3 | 4 | 2 | 40 | 258.406 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.