In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2011 | 26 | 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) | 0.06 | 3.67 | -18.01 | 2 | 8 | 0 | 100 | 376.8 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.06 | 4.13 | -49.26 | 3 | 8 | 1 | 101 | 377.808 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.