In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2010 | 16 | Yes |
Popular Name: (1S,2S)-2-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]cyclohexanol (1S,2S)-2-[[(3R)-1-cyclopropylpy…
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) | 1.37 | 2.39 | -34.54 | 3 | 3 | 1 | 40 | 225.356 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.37 | 3.23 | -29.69 | 3 | 3 | 1 | 37 | 225.356 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.37 | 4.72 | -100.05 | 4 | 3 | 2 | 41 | 226.364 | 3 | ↓ |