In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 21 | Yes |
Popular Name: 2-[1-[(5-bromo-1H-indol-3-yl)methyl]-4-piperidyl]-N-methyl-ethanamine 2-[1-[(5-bromo-1H-indol-3-yl)met…
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) | 3.69 | 9.21 | -93.77 | 4 | 3 | 2 | 37 | 352.32 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.69 | 6.98 | -40.86 | 3 | 3 | 1 | 36 | 351.312 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.