In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | Yes |
Popular Name: (2R,3R)-2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3-methyl-pentanamide (2R,3R)-2-amino-N-[(1S)-1-(3-bro…
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) | 2.65 | 5.64 | -45.03 | 4 | 3 | 1 | 57 | 314.247 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 5.32 | -7.94 | 3 | 3 | 0 | 55 | 313.239 | 5 | ↓ |