In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2011 | 21 | Yes |
Popular Name: 4-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methyl-amino]acetyl]piperazin-2-one 4-[2-[[(1R)-1-(2-chlorophenyl)et…
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) | 1.75 | 5.78 | -41.41 | 2 | 5 | 1 | 54 | 310.805 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 3.95 | -10.33 | 1 | 5 | 0 | 53 | 309.797 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.