In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 15 | Yes |
Popular Name: (2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one (2S)-2-amino-1-[4-(2-hydroxyethy…
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) | -1.33 | -2.64 | -43.18 | 4 | 5 | 1 | 71 | 216.305 | 4 | ↓ |
Hi High (pH 8-9.5) | -1.33 | -2.99 | -8.99 | 3 | 5 | 0 | 70 | 215.297 | 4 | ↓ |
Lo Low (pH 4.5-6) | -1.33 | -0.34 | -95.16 | 5 | 5 | 2 | 73 | 217.313 | 4 | ↓ |