In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2010 | 12 | Yes |
None
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) | -0.55 | 3.76 | -93.47 | 5 | 4 | 2 | 57 | 170.26 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.55 | 2.46 | -26.18 | 4 | 4 | 1 | 53 | 169.252 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.