In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | Yes |
Popular Name: (3S)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(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) | 1.92 | 7.33 | -45.57 | 2 | 4 | 0 | 57 | 282.409 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 4.98 | -41.38 | 1 | 4 | -1 | 55 | 281.401 | 6 | ↓ |