In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 28 | No |
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 | 8.4 | -17.16 | 1 | 8 | 0 | 111 | 412.452 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.83 | 8.28 | -115.97 | 3 | 8 | 2 | 114 | 414.468 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.