In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 29 | No |
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) | 2.55 | 10.17 | -18.77 | 1 | 9 | 0 | 130 | 427.467 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 10.08 | -117 | 3 | 9 | 2 | 133 | 429.483 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.