In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 19 | Yes |
Popular Name: (1R)-1-(5-bromo-2-methoxy-phenyl)-N-[(1S)-1-cyclopropylethyl]-N-methyl-ethane-1,2-diamine (1R)-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) | 2.72 | 6.84 | -118.14 | 4 | 3 | 2 | 41 | 329.282 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.72 | 6.82 | -27.36 | 3 | 3 | 1 | 40 | 328.274 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.72 | 5.05 | -43.93 | 3 | 3 | 1 | 40 | 328.274 | 6 | ↓ |