In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 18 | Yes |
Popular Name: (2S)-2-[(3-chloro-4-fluoro-phenyl)methylamino]-N-prop-2-ynyl-propanamide (2S)-2-[(3-chloro-4-fluoro-pheny…
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) | 1.86 | 4.15 | -9.09 | 2 | 3 | 0 | 41 | 268.719 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.86 | 5.4 | -50.46 | 3 | 3 | 1 | 46 | 269.727 | 5 | ↓ |