In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2010 | 20 | 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) | -0.78 | 4.4 | -55.01 | 4 | 8 | 1 | 107 | 276.324 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.78 | 3.11 | -12.59 | 3 | 8 | 0 | 102 | 275.316 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.