In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 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) | 2.23 | 5.81 | -5.64 | 1 | 3 | 0 | 38 | 246.354 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 6.29 | -30.81 | 2 | 3 | 1 | 39 | 247.362 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.