In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 20 | 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) | 3.80 | 8.06 | -52.74 | 3 | 2 | 1 | 41 | 263.364 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.80 | 7.72 | -7.35 | 2 | 2 | 0 | 39 | 262.356 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.