In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 11th, 2010 | 21 | Yes |
Popular Name: (1R,2R)-1-(4-bromo-2-thienyl)-N1-[(4-ethylphenyl)methyl]-N1-methyl-propane-1,2-diamine (1R,2R)-1-(4-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) | 4.08 | 9.97 | -125.56 | 4 | 2 | 2 | 32 | 369.372 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.08 | 7.64 | -2.5 | 2 | 2 | 0 | 29 | 367.356 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.08 | 8.05 | -42.28 | 3 | 2 | 1 | 31 | 368.364 | 6 | ↓ |