In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 16 | Yes |
Popular Name: (2S,3R)-2-amino-N-butyl-N-(2-hydroxyethyl)-3-methyl-pentanamide (2S,3R)-2-amino-N-butyl-N-(2-hyd…
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) | 0.96 | 2.07 | -36.93 | 4 | 4 | 1 | 68 | 231.36 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.96 | 1.75 | -9.19 | 3 | 4 | 0 | 67 | 230.352 | 8 | ↓ |