In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 19 | Yes |
Popular Name: (2S,3S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methyl-pentanamide (2S,3S)-2-amino-N-ethyl-N-[(3-fl…
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) | 2.07 | 6.38 | -44.44 | 3 | 3 | 1 | 48 | 267.368 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.07 | 6.13 | -5.58 | 2 | 3 | 0 | 46 | 266.36 | 6 | ↓ |