In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | 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) | 2.87 | 8.77 | -56.7 | 0 | 5 | -1 | 67 | 281.291 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.87 | 9.22 | -35.3 | 1 | 5 | 0 | 68 | 282.299 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.