In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 20 | Yes |
Popular Name: (1R,2R)-1-(5-bromo-2-thienyl)-N1-methyl-N1-(1-methyl-4-piperidyl)butane-1,2-diamine (1R,2R)-1-(5-bromo-2-thienyl)-N1…
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) | 2.92 | 6.57 | -98.51 | 4 | 3 | 2 | 35 | 362.381 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 6.22 | -37.49 | 3 | 3 | 1 | 34 | 361.373 | 5 | ↓ |