In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 20 | Yes |
Popular Name: [4-[(1S,2S)-2-amino-1-(4-chlorophenyl)propoxy]phenyl]methanol [4-[(1S,2S)-2-amino-1-(4-chlorop…
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 | 4.44 | -47.32 | 4 | 3 | 1 | 57 | 292.786 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 4.07 | -5.85 | 3 | 3 | 0 | 55 | 291.778 | 5 | ↓ |