In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: (1S,2S)-2-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbonyl]cyclopropanecarboxylic (1S,2S)-2-[4-[[(2R)-tetrahydrofu…
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) | 0.28 | 4.37 | -49.24 | 0 | 6 | -1 | 73 | 281.332 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.28 | 6.66 | -70.26 | 1 | 6 | 0 | 74 | 282.34 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.28 | 4.66 | -44.74 | 2 | 6 | 1 | 71 | 283.348 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.