In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 15 | Yes |
Popular Name: (1R)-1-(4-bromo-2-thienyl)-N-butyl-N-methyl-ethane-1,2-diamine (1R)-1-(4-bromo-2-thienyl)-N-but…
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) | 2.80 | 4.08 | -49.03 | 3 | 2 | 1 | 31 | 292.266 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.80 | 6.34 | -128.52 | 4 | 2 | 2 | 32 | 293.274 | 6 | ↓ |