In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 20 | Yes |
Popular Name: (3R)-N-[(1R)-1-cyclohexylethyl]-1,1-dioxo-2,3-dihydrobenzothiophen-3-amine (3R)-N-[(1R)-1-cyclohexylethyl]-…
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) | 3.42 | 5.88 | -58.87 | 2 | 3 | 1 | 51 | 294.44 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.42 | 4.76 | -11.4 | 1 | 3 | 0 | 46 | 293.432 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.