In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 18 | Yes |
Popular Name: (2S)-2-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methyl-butan-1-one (2S)-2-amino-1-[4-(cyclopropanec…
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 | 3.33 | -55.39 | 3 | 5 | 1 | 68 | 254.354 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.27 | 3.06 | -12.75 | 2 | 5 | 0 | 67 | 253.346 | 3 | ↓ |