In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2008 | 29 | Yes |
Popular Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] [2-[[(6S)-3-cyano-6-methyl-4,5,6…
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) | 3.67 | 10.53 | -12.32 | 1 | 7 | 0 | 97 | 428.539 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.