In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 14 | 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) | 0.54 | 3.62 | -51.71 | 3 | 4 | 1 | 58 | 189.242 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.54 | 3.23 | -9.08 | 2 | 4 | 0 | 57 | 188.234 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.