In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 20th, 2009 | 23 | 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) | 2.32 | 5.7 | -14.15 | 2 | 6 | 0 | 87 | 305.293 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 4.57 | -53.63 | 1 | 6 | -1 | 90 | 304.285 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.