In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 18 | Yes |
Popular Name: 1-[4-[(2R)-2-aminobutanoyl]piperazin-1-yl]-3-methyl-butan-1-one 1-[4-[(2R)-2-aminobutanoyl]piper…
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) | 0.27 | 3.43 | -47.6 | 3 | 5 | 1 | 68 | 256.37 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.27 | 3.12 | -9.14 | 2 | 5 | 0 | 67 | 255.362 | 4 | ↓ |