In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 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) | -0.58 | 5.64 | -56.48 | 2 | 9 | 1 | 98 | 364.426 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.58 | 3.42 | -14.43 | 1 | 9 | 0 | 97 | 363.418 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.