In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 19 | 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) | -1.78 | -7.55 | -19.71 | 4 | 9 | 0 | 134 | 274.229 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.33 | -10.13 | -62.16 | 3 | 9 | -1 | 137 | 273.221 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.