In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2011 | 19 | Yes |
Popular Name: 3-(4-methyl-1-piperidyl)-N-[(1S)-1-(3-methyl-2-thienyl)ethyl]propan-1-amine 3-(4-methyl-1-piperidyl)-N-[(1S)…
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) | 3.78 | 8.77 | -34.49 | 2 | 2 | 1 | 16 | 281.489 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.78 | 9.96 | -105.3 | 3 | 2 | 2 | 21 | 282.497 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.