In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 36 | 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) | 1.41 | 7.25 | -21.39 | 0 | 10 | 0 | 89 | 497.596 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.41 | 9.59 | -56.7 | 1 | 10 | 1 | 90 | 498.604 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.