In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2009 | 20 | Yes |
Popular Name: 2-[1-[[[(2S)-piperidine-2-carbonyl]amino]methyl]cyclohexyl]acetic 2-[1-[[[(2S)-piperidine-2-carbon…
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) | 1.60 | 5.96 | -58.79 | 3 | 5 | 0 | 86 | 282.384 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.60 | 4.62 | -50.04 | 2 | 5 | -1 | 81 | 281.376 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.60 | 3.97 | -41.13 | 4 | 5 | 1 | 83 | 283.392 | 5 | ↓ |