In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 18 | Yes |
Popular Name: (2S,3R)-2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethyl-pentanamide (2S,3R)-2-amino-N-[(3-fluorophen…
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) | 1.69 | 5.71 | -44.63 | 3 | 3 | 1 | 48 | 253.341 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.69 | 5.43 | -8.75 | 2 | 3 | 0 | 46 | 252.333 | 5 | ↓ |