In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: 2-[4-[(2S,3R)-2-amino-3-methyl-pentanoyl]piperazin-1-yl]-N,N-dimethyl-acetamide 2-[4-[(2S,3R)-2-amino-3-methyl-p…
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) | -1.05 | 1.56 | -49.92 | 3 | 6 | 1 | 71 | 285.412 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.05 | 1.26 | -14.55 | 2 | 6 | 0 | 70 | 284.404 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.05 | 3.72 | -105.44 | 4 | 6 | 2 | 73 | 286.42 | 5 | ↓ |