In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 19 | Yes |
Popular Name: 4-bromo-2-[(1S)-1-[(1-methyl-4-piperidyl)amino]propyl]phenol 4-bromo-2-[(1S)-1-[(1-methyl-4-p…
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) | 2.80 | 5.86 | -33.75 | 3 | 3 | 1 | 37 | 328.274 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 4.95 | -36.56 | 2 | 3 | 0 | 43 | 327.266 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 4.24 | -36.88 | 3 | 3 | 1 | 40 | 328.274 | 4 | ↓ |