In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 24 | 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) | 0.78 | 7.64 | -14.11 | 0 | 7 | 0 | 67 | 326.404 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.78 | 8.08 | -45.27 | 1 | 7 | 1 | 68 | 327.412 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.