In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: (1S,2S)-2-[4-[2-(ethylamino)-2-oxo-ethyl]piperazine-1-carbonyl]cyclopropanecarboxylic (1S,2S)-2-[4-[2-(ethylamino)-2-o…
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) | -0.11 | 2.72 | -53.04 | 1 | 7 | -1 | 93 | 282.32 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.11 | 4.86 | -72.74 | 2 | 7 | 0 | 94 | 283.328 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.11 | 2.88 | -49.45 | 3 | 7 | 1 | 91 | 284.336 | 5 | ↓ |