In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2011 | 17 | Yes |
Popular Name: N-[(4-bromo-2-thienyl)methyl]-N-methyl-1-[(3R)-3-methyl-3-piperidyl]methanamine N-[(4-bromo-2-thienyl)methyl]-N-…
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) | 2.83 | 6.32 | -39.42 | 2 | 2 | 1 | 20 | 318.304 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.83 | 8.16 | -102.02 | 3 | 2 | 2 | 21 | 319.312 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.