In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 21 | Yes |
Popular Name: (1S)-1-(5-bromo-2-methoxy-phenyl)-N-(2-dimethylaminoethyl)-N-propyl-ethane-1,2-diamine (1S)-1-(5-bromo-2-methoxy-phenyl…
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) | 2.43 | 5.25 | -111.59 | 4 | 4 | 2 | 45 | 360.34 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.43 | 2.79 | -43.44 | 3 | 4 | 1 | 43 | 359.332 | 9 | ↓ |