In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 19 | Yes |
Popular Name: 2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N,N-diethyl-acetamide 2-[4-[(2S)-2-aminopropanoyl]pipe…
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) | -1.14 | 1.51 | -50.73 | 3 | 6 | 1 | 71 | 271.385 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.14 | 0.82 | -14.75 | 2 | 6 | 0 | 70 | 270.377 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.14 | 3.14 | -54.23 | 3 | 6 | 1 | 71 | 271.385 | 5 | ↓ |