In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 27th, 2011 | 29 | 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) | 2.37 | 11.32 | -52.9 | 2 | 7 | 1 | 90 | 394.451 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.37 | 10.86 | -25.82 | 1 | 7 | 0 | 88 | 393.443 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.