In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2010 | 34 | 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) | 2.56 | 6.73 | -60.65 | 1 | 9 | -1 | 128 | 503.626 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.48 | 7.29 | -26.48 | 2 | 9 | 0 | 129 | 504.634 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.