In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 19 | Yes |
Popular Name: (1R)-N-[(4-bromo-2-thienyl)methyl]-N',N'-dimethyl-1-phenyl-ethane-1,2-diamine (1R)-N-[(4-bromo-2-thienyl)methy…
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) | 3.74 | 8.88 | -37.17 | 2 | 2 | 1 | 16 | 340.31 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.74 | 10.11 | -128.16 | 3 | 2 | 2 | 21 | 341.318 | 6 | ↓ |