In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 22 | 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) | 2.09 | 6 | -15.68 | 1 | 5 | 0 | 56 | 335.454 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 6.45 | -34.52 | 2 | 5 | 1 | 57 | 336.462 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.