In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 18 | Yes |
Popular Name: (1R)-2-[[(3R)-1-isopropylpyrrolidin-3-yl]amino]-1-phenyl-ethanol (1R)-2-[[(3R)-1-isopropylpyrroli…
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) | 1.73 | 5.76 | -111.73 | 4 | 3 | 2 | 41 | 250.386 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.73 | 2.16 | -3.19 | 2 | 3 | 0 | 35 | 248.37 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 4.58 | -32.41 | 3 | 3 | 1 | 37 | 249.378 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.73 | 3.34 | -41.5 | 3 | 3 | 1 | 40 | 249.378 | 5 | ↓ |