In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 34 | Yes |
Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-9H-xanthene-9-carboxamide N-(6-chloro-1,3-benzothiazol-2-y…
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) | 6.44 | 15.63 | -57.1 | 1 | 5 | 1 | 47 | 493.052 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.44 | 13.29 | -12.48 | 0 | 5 | 0 | 46 | 492.044 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.