In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 15 | 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) | 0.50 | 5.43 | -42.43 | 2 | 4 | 1 | 42 | 207.301 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.50 | 5.87 | -83.15 | 3 | 4 | 2 | 43 | 208.309 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.