In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | Yes |
Popular Name: (2S)-N-[(3,4-dichlorophenyl)methyl]-N-isopropyl-piperidine-2-carboxamide (2S)-N-[(3,4-dichlorophenyl)meth…
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) | 3.70 | 8.85 | -38.69 | 2 | 3 | 1 | 37 | 330.279 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.70 | 7.61 | -9.27 | 1 | 3 | 0 | 32 | 329.271 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.