In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 15 | Yes |
Popular Name: (3R)-3-[[(1S,2R)-2-phenylcyclopropyl]amino]butanenitrile (3R)-3-[[(1S,2R)-2-phenylcyclopr…
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) | 1.59 | 7.49 | -45.94 | 2 | 2 | 1 | 40 | 201.293 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.59 | 6.54 | -9.37 | 1 | 2 | 0 | 36 | 200.285 | 4 | ↓ |