In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: 2-[[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]amino]benzoic 2-[[(1S)-1-(3-chloro-4-fluoro-ph…
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) | 4.57 | 9.18 | -47.56 | 1 | 3 | -1 | 52 | 292.717 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.57 | 7.17 | -6.89 | 2 | 3 | 0 | 49 | 293.725 | 4 | ↓ |