In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 16 | 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) | 1.83 | 4.24 | -6.43 | 0 | 3 | 0 | 30 | 225.332 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.83 | 6.39 | -39.23 | 1 | 3 | 1 | 31 | 226.34 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.