In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | Yes |
Popular Name: (2S)-2-amino-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-methyl-butanamide (2S)-2-amino-N-[(1S)-1-(3,4-difl…
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) | 1.62 | 4 | -48.97 | 4 | 3 | 1 | 57 | 257.304 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.62 | 4.21 | -8.47 | 3 | 3 | 0 | 55 | 256.296 | 4 | ↓ |