In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 28 | 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) | -0.29 | 2.5 | -21.77 | 3 | 9 | 0 | 116 | 380.408 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.29 | 2.15 | -40.13 | 4 | 9 | 1 | 117 | 381.416 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.