In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 21 | 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) | 3.09 | 5.97 | -54.37 | 3 | 5 | -1 | 91 | 278.291 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.09 | 6.43 | -63.15 | 4 | 5 | 0 | 92 | 279.299 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.