In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 25 | 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) | 1.73 | 9.01 | -51.83 | 2 | 7 | 1 | 74 | 360.825 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 8.54 | -20.67 | 1 | 7 | 0 | 73 | 359.817 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.