In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: (2R,3S)-2-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N,3-dimethyl-pentanamide (2R,3S)-2-amino-N-[(1S)-1-(2,4-d…
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) | 3.39 | 6.9 | -40.93 | 3 | 3 | 1 | 48 | 318.268 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.39 | 6.59 | -6.52 | 2 | 3 | 0 | 46 | 317.26 | 5 | ↓ |