In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 26 | 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) | 2.08 | 9.32 | -62.25 | 0 | 7 | -1 | 79 | 350.402 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 11.21 | -75.31 | 1 | 7 | 0 | 80 | 351.41 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.