In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 21 | Yes |
Popular Name: 2-[(2S)-1-[2-(2,5-dichlorophenyl)sulfanylethyl]-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-[2-(2,5-dichlorophenyl…
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) | 4.64 | 9.29 | -39.23 | 2 | 2 | 1 | 20 | 348.363 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.64 | 10.88 | -106.02 | 3 | 2 | 2 | 21 | 349.371 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.