In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 19 | Yes |
Popular Name: (2S)-N-butyl-2-[(3-chloro-4-fluoro-phenyl)methylamino]propanamide (2S)-N-butyl-2-[(3-chloro-4-fluo…
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) | 3.14 | 5.19 | -9.16 | 2 | 3 | 0 | 41 | 286.778 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.14 | 6.45 | -49.9 | 3 | 3 | 1 | 46 | 287.786 | 7 | ↓ |