In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 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) | 2.33 | 4.34 | -55.99 | 3 | 5 | -1 | 91 | 242.258 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.33 | 4.8 | -44.38 | 4 | 5 | 0 | 92 | 243.266 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.