In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | Yes |
Popular Name: (2S,3S)-2-amino-N-[(2-chloro-6-fluoro-phenyl)methyl]-N-cyclopropyl-3-methyl-pentanamide (2S,3S)-2-amino-N-[(2-chloro-6-f…
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) | 2.66 | 6.78 | -40.34 | 3 | 3 | 1 | 48 | 313.824 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.66 | 6.42 | -7.95 | 2 | 3 | 0 | 46 | 312.816 | 6 | ↓ |