In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: 3-[(1S)-1-[[(1S)-1-(3-bromo-4-methoxy-phenyl)ethyl]amino]ethyl]phenol 3-[(1S)-1-[[(1S)-1-(3-bromo-4-me…
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) | 4.30 | 6.59 | -46.79 | 3 | 3 | 1 | 46 | 351.264 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.30 | 5.74 | -6.42 | 2 | 3 | 0 | 41 | 350.256 | 5 | ↓ |