In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 20 | Yes |
Popular Name: (4-tert-butylcyclohexyl)-[(2S,6S)-2,6-dimethylpiperazin-1-yl]methanone (4-tert-butylcyclohexyl)-[(2S,6S…
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) | 3.01 | 7.4 | -46.71 | 2 | 3 | 1 | 37 | 281.464 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 6.07 | -4.77 | 1 | 3 | 0 | 32 | 280.456 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.