In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 21 | Yes |
Popular Name: N-(o-tolyl)-2-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]acetamide N-(o-tolyl)-2-[[(4R)-4,5,6,7-tet…
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) | 2.76 | 8.3 | -47.21 | 3 | 3 | 1 | 46 | 301.435 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.76 | 7.12 | -9.95 | 2 | 3 | 0 | 41 | 300.427 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.