In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 19 | Yes |
Popular Name: (2S,3S)-2-amino-1-(4-butanoylpiperazin-1-yl)-3-methyl-pentan-1-one (2S,3S)-2-amino-1-(4-butanoylpip…
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) | 0.80 | 4.06 | -56.55 | 3 | 5 | 1 | 68 | 270.397 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.80 | 3.72 | -16.19 | 2 | 5 | 0 | 67 | 269.389 | 5 | ↓ |