In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 36 | Yes |
Popular Name: N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-diethylaminoethyl)-N-(6-eth…
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) | 6.19 | 15.34 | -58.19 | 1 | 6 | 1 | 56 | 502.66 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.19 | 13.31 | -13.71 | 0 | 6 | 0 | 55 | 501.652 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.