In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 18 | Yes |
Popular Name: (2S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyl-butanamide (2S)-2-amino-N-benzyl-N-(2-hydro…
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) | 0.42 | 2.75 | -42.89 | 4 | 4 | 1 | 68 | 251.35 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.42 | 2.44 | -7.96 | 3 | 4 | 0 | 67 | 250.342 | 6 | ↓ |